A1LZ7

~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-5-[(3~{S})-4-ethyl-3-methyl-piperazin-1-yl]-2-methyl-benzamide

Created:	2024-04-03
Last modified:	2024-12-04

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1 entries where A1LZ7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	69
Chiral Atom Count	1
Bond Count	74
Aromatic Bond Count	17

2D diagram of A1LZ7

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Chemical Component Summary
Name	~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-5-[(3~{S})-4-ethyl-3-methyl-piperazin-1-yl]-2-methyl-benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-5-[(3~{S})-4-ethyl-3-methyl-piperazin-1-yl]-2-methyl-benzamide
Formula	C₃₀ H₃₅ N₃ O
Molecular Weight	453.618
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN1CCN(C[CH]1C)c2ccc(C)c(c2)C(=O)NC3(CC3)c4ccc5CCc6cccc4c56
SMILES	OpenEye OEToolkits	2.0.7	CCN1CCN(CC1C)c2ccc(c(c2)C(=O)NC3(CC3)c4ccc5c6c4cccc6CC5)C
Canonical SMILES	CACTVS	3.385	CCN1CCN(C[C@@H]1C)c2ccc(C)c(c2)C(=O)NC3(CC3)c4ccc5CCc6cccc4c56
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCN1CCN(C[C@@H]1C)c2ccc(c(c2)C(=O)NC3(CC3)c4ccc5c6c4cccc6CC5)C
InChI	InChI	1.06	InChI=1S/C30H35N3O/c1-4-32-16-17-33(19-21(32)3)24-12-8-20(2)26(18-24)29(34)31-30(14-15-30)27-13-11-23-10-9-22-6-5-7-25(27)28(22)23/h5-8,11-13,18,21H,4,9-10,14-17,19H2,1-3H3,(H,31,34)/t21-/m0/s1
InChIKey	InChI	1.06	CVNXPJQPKSLBEK-NRFANRHFSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.