(2S)-N-(cyanomethyl)-4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[3-[4-(1-piperazinyl)phenyl]phenyl]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-4-methyl-2-[3-(4-piperazinophenyl)phenyl]valeramide Formula: C24H30N4O MolecularWeight: 390.5212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)N3CCNCC3)C(=O)NCC#N

Isomeric SMILES

CC(C)C[C@@H](C1=CC=CC(=C1)C2=CC=C(C=C2)N3CCNCC3)C(=O)NCC#N

InChI

InChI=1S/C24H30N4O/c1-18(2)16-23(24(29)27-11-10-25)21-5-3-4-20(17-21)19-6-8-22(9-7-19)28-14-12-26-13-15-28/h3-9,17-18,23,26H,11-16H2,1-2H3,(H,27,29)/t23-/m0/s1