N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2-(4-methyl-1-piperazinyl)-4-pyridinecarboxamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-2-(4-methylpiperazino)isonicotinamide Formula: C19H28N6O2 MolecularWeight: 372.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=NC=C1)N2CCN(CC2)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=NC=C1)N2CCN(CC2)C

InChI

InChI=1S/C19H28N6O2/c1-14(2)12-16(19(27)22-7-5-20)23-18(26)15-4-6-21-17(13-15)25-10-8-24(3)9-11-25/h4,6,13-14,16H,7-12H2,1-3H3,(H,22,27)(H,23,26)