N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-cyano-benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-cyano-benzamide CAS Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(2-aminocyclohexyl)-N-[2-chloro-5-(3,3-dimethylbutanoylamino)benzyl]-4-cyano-benzamide Formula: C27H33ClN4O2 MolecularWeight: 481.02952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCCCC2N)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCCCC2N)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H33ClN4O2/c1-27(2,3)15-25(33)31-21-12-13-22(28)20(14-21)17-32(24-7-5-4-6-23(24)30)26(34)19-10-8-18(16-29)9-11-19/h8-14,23-24H,4-7,15,17,30H2,1-3H3,(H,31,33)