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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)phenyl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(4-piperazin-1-ylphenyl)anilino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-[4-(1-piperazinyl)phenyl]anilino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(4-piperazin-1-ylphenyl)anilino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-(4-piperazinophenyl)anilino]valeramide Formula: C24H31N5O MolecularWeight: 405.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CC=CC(=C1)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CC=CC(=C1)C2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C24H31N5O/c1-18(2)16-23(24(30)27-11-10-25)28-21-5-3-4-20(17-21)19-6-8-22(9-7-19)29-14-12-26-13-15-29/h3-9,17-18,23,26,28H,11-16H2,1-2H3,(H,27,30)