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

Systemtic Name: (2S)-2-[(S)-(4-chlorophenyl)-[4-(4-piperazin-1-ylphenyl)phenyl]methoxy]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: (2S)-2-[(S)-(4-chlorophenyl)-[4-(4-piperazin-1-ylphenyl)phenyl]methoxy]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: (2S)-2-[(S)-(4-chlorophenyl)-[4-[4-(1-piperazinyl)phenyl]phenyl]methoxy]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: (2S)-2-[(S)-(4-chlorophenyl)-[4-(4-piperazin-1-ylphenyl)phenyl]methoxy]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: (2S)-2-[(S)-(4-chlorophenyl)-[4-(4-piperazinophenyl)phenyl]methoxy]-N-(cyanomethyl)-4-methyl-valeramide Formula: C31H35ClN4O2 MolecularWeight: 531.0882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)O[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C31H35ClN4O2/c1-22(2)21-29(31(37)35-16-15-33)38-30(26-7-11-27(32)12-8-26)25-5-3-23(4-6-25)24-9-13-28(14-10-24)36-19-17-34-18-20-36/h3-14,22,29-30,34H,16-21H2,1-2H3,(H,35,37)/t29-,30-/m0/s1