N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-[4-(4-piperidyl)phenyl]phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-[4-(4-piperidinyl)phenyl]phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(4-piperidin-4-ylphenyl)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-[4-(4-piperidyl)phenyl]phenyl]valeramide Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)C3CCNCC3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)C3CCNCC3)C(=O)NCC#N

InChI

InChI=1S/C25H31N3O/c1-18(2)16-24(25(29)28-15-12-26)23-5-3-4-22(17-23)20-8-6-19(7-9-20)21-10-13-27-14-11-21/h3-9,17-18,21,24,27H,10-11,13-16H2,1-2H3,(H,28,29)