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

Systemtic Name: N-(2-azanylcyclohexyl)-4-cyano-N-[[4-(3,3-dimethylbutanoylamino)phenyl]methyl]benzamide Openeye Name: N-(2-aminocyclohexyl)-4-cyano-N-[[4-(3,3-dimethylbutanoylamino)phenyl]methyl]benzamide CAS Name: N-(2-aminocyclohexyl)-4-cyano-N-[[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]methyl]benzamide IUPAC Name: N-(2-aminocyclohexyl)-4-cyano-N-[[4-(3,3-dimethylbutanoylamino)phenyl]methyl]benzamide Traditional Name: N-(2-aminocyclohexyl)-4-cyano-N-[4-(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=C(C=C1)CN(C2CCCCC2N)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2/c1-27(2,3)16-25(32)30-22-14-10-20(11-15-22)18-31(24-7-5-4-6-23(24)29)26(33)21-12-8-19(17-28)9-13-21/h8-15,23-24H,4-7,16,18,29H2,1-3H3,(H,30,32)