N-(cyanomethyl)-4-methyl-2-[[2-methyl-3-oxidanylidene-5-(4-piperazin-1-ylphenyl)pyridazin-4-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[2-methyl-3-oxidanylidene-5-(4-piperazin-1-ylphenyl)pyridazin-4-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[2-methyl-3-oxo-5-(4-piperazin-1-ylphenyl)pyridazin-4-yl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[2-methyl-3-oxo-5-[4-(1-piperazinyl)phenyl]-4-pyridazinyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[2-methyl-3-oxo-5-(4-piperazin-1-ylphenyl)pyridazin-4-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-2-[[3-keto-2-methyl-5-(4-piperazinophenyl)pyridazin-4-yl]amino]-4-methyl-valeramide Formula: C23H31N7O2 MolecularWeight: 437.53794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N7O2/c1-16(2)14-20(22(31)26-9-8-24)28-21-19(15-27-29(3)23(21)32)17-4-6-18(7-5-17)30-12-10-25-11-13-30/h4-7,15-16,20,25,28H,9-14H2,1-3H3,(H,26,31)