Y94

2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide

Created:	2020-11-10
Last modified:	2020-11-18

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1 entries where Y94 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	1
Bond Count	56
Aromatic Bond Count	17

2D diagram of Y94

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Chemical Component Summary
Name	2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide
Systematic Name (OpenEye OEToolkits)	2-methyl-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]-5-(prop-2-enylcarbamoylamino)benzamide
Formula	C₂₄ H₂₅ N₃ O₂
Molecular Weight	387.474
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccc(C)c(c1)C(NC(C)c2cccc3c2cccc3)=O)NC\C=C
SMILES	CACTVS	3.385	C[CH](NC(=O)c1cc(NC(=O)NCC=C)ccc1C)c2cccc3ccccc23
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)NC(=O)NCC=C
Canonical SMILES	CACTVS	3.385	C[C@@H](NC(=O)c1cc(NC(=O)NCC=C)ccc1C)c2cccc3ccccc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)NC(=O)NCC=C
InChI	InChI	1.03	InChI=1S/C24H25N3O2/c1-4-14-25-24(29)27-19-13-12-16(2)22(15-19)23(28)26-17(3)20-11-7-9-18-8-5-6-10-21(18)20/h4-13,15,17H,1,14H2,2-3H3,(H,26,28)(H2,25,27,29)/t17-/m1/s1
InChIKey	InChI	1.03	UPLVMSAQDITPGI-QGZVFWFLSA-N

Related Resource References

Resource Name	Reference
PubChem	154815733

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