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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)phenyl]methylamino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)phenyl]methylamino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[3-[4-(1-piperazinyl)phenyl]phenyl]methylamino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazin-1-ylphenyl)phenyl]methylamino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[3-(4-piperazinophenyl)benzyl]amino]valeramide Formula: C25H33N5O MolecularWeight: 419.56242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NCC1=CC=CC(=C1)C2=CC=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NCC1=CC=CC(=C1)C2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C25H33N5O/c1-19(2)16-24(25(31)28-11-10-26)29-18-20-4-3-5-22(17-20)21-6-8-23(9-7-21)30-14-12-27-13-15-30/h3-9,17,19,24,27,29H,11-16,18H2,1-2H3,(H,28,31)