N-[3-[[(4-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-cyano-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C#N)C3CCC(CC3)N

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C#N)C3CCC(CC3)N

InChI

InChI=1S/C27H34N4O2/c1-27(2,3)16-25(32)31(24-13-11-22(29)12-14-24)18-20-5-4-6-23(15-20)30-26(33)21-9-7-19(17-28)8-10-21/h4-10,15,22,24H,11-14,16,18,29H2,1-3H3,(H,30,33)