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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[1-methyl-4-(4-piperazin-1-ylphenyl)pyrazol-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[1-methyl-4-(4-piperazin-1-ylphenyl)pyrazol-3-yl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[1-methyl-4-[4-(1-piperazinyl)phenyl]-3-pyrazolyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[1-methyl-4-(4-piperazin-1-ylphenyl)pyrazol-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[1-methyl-4-(4-piperazinophenyl)pyrazol-3-yl]amino]valeramide Formula: C22H31N7O MolecularWeight: 409.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=NN(C=C1C2=CC=C(C=C2)N3CCNCC3)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=NN(C=C1C2=CC=C(C=C2)N3CCNCC3)C

InChI

InChI=1S/C22H31N7O/c1-16(2)14-20(22(30)25-9-8-23)26-21-19(15-28(3)27-21)17-4-6-18(7-5-17)29-12-10-24-11-13-29/h4-7,15-16,20,24H,9-14H2,1-3H3,(H,25,30)(H,26,27)