2-methyl-2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-2-oxidanylidene-imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile

Systemtic Name: 2-methyl-2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-2-oxidanylidene-imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile Openeye Name: 2-methyl-2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridyl]-2-oxo-imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile CAS Name: 2-methyl-2-[4-[3-methyl-8-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-2-oxo-1-imidazo[4,5-c]quinolinyl]phenyl]propanenitrile IUPAC Name: 2-methyl-2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile Traditional Name: 2-[4-[2-keto-3-methyl-8-[2-(4-methylpiperazino)-4-pyridyl]imidazo[4,5-c]quinolin-1-yl]phenyl]-2-methyl-propionitrile Formula: C31H31N7O MolecularWeight: 517.62414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC(=NC=C5)N6CCN(CC6)C

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC(=NC=C5)N6CCN(CC6)C

InChI

InChI=1S/C31H31N7O/c1-31(2,20-32)23-6-8-24(9-7-23)38-29-25-17-21(5-10-26(25)34-19-27(29)36(4)30(38)39)22-11-12-33-28(18-22)37-15-13-35(3)14-16-37/h5-12,17-19H,13-16H2,1-4H3