(2S)-N-(1-butylcyclohexyl)-2-[(4-cyanonaphthalen-1-yl)amino]-4-methyl-pentanamide

Systemtic Name: (2S)-N-(1-butylcyclohexyl)-2-[(4-cyanonaphthalen-1-yl)amino]-4-methyl-pentanamide Openeye Name: (2S)-N-(1-butylcyclohexyl)-2-[(4-cyano-1-naphthyl)amino]-4-methyl-pentanamide CAS Name: (2S)-N-(1-butylcyclohexyl)-2-[(4-cyano-1-naphthalenyl)amino]-4-methylpentanamide IUPAC Name: (2S)-N-(1-butylcyclohexyl)-2-[(4-cyanonaphthalen-1-yl)amino]-4-methylpentanamide Traditional Name: (2S)-N-(1-butylcyclohexyl)-2-[(4-cyano-1-naphthyl)amino]-4-methyl-valeramide Formula: C27H37N3O MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCCCC1)NC(=O)C(CC(C)C)NC2=CC=C(C3=CC=CC=C32)C#N

Isomeric SMILES

CCCCC1(CCCCC1)NC(=O)[C@H](CC(C)C)NC2=CC=C(C3=CC=CC=C32)C#N

InChI

InChI=1S/C27H37N3O/c1-4-5-15-27(16-9-6-10-17-27)30-26(31)25(18-20(2)3)29-24-14-13-21(19-28)22-11-7-8-12-23(22)24/h7-8,11-14,20,25,29H,4-6,9-10,15-18H2,1-3H3,(H,30,31)/t25-/m0/s1