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

Systemtic Name: N-(2-azanylcyclohexyl)-4-cyano-N-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-4-cyano-N-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-4-cyano-N-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-4-cyano-N-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-4-cyano-N-[3-(3,3-dimethylbutanoylamino)benzyl]benzamide Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2/c1-27(2,3)16-25(32)30-22-8-6-7-20(15-22)18-31(24-10-5-4-9-23(24)29)26(33)21-13-11-19(17-28)12-14-21/h6-8,11-15,23-24H,4-5,9-10,16,18,29H2,1-3H3,(H,30,32)