N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-piperidin-1-yl-pyridine-4-carboxamide

Systemtic Name: N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-piperidin-1-yl-pyridine-4-carboxamide Openeye Name: N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]phenyl]-2-(1-piperidyl)pyridine-4-carboxamide CAS Name: N-[4-methyl-3-[6-(4-methyl-1-piperazinyl)-4-oxo-3-quinazolinyl]phenyl]-2-(1-piperidinyl)-4-pyridinecarboxamide IUPAC Name: N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]-2-piperidin-1-ylpyridine-4-carboxamide Traditional Name: N-[3-[4-keto-6-(4-methylpiperazino)quinazolin-3-yl]-4-methyl-phenyl]-2-piperidino-isonicotinamide Formula: C31H35N7O2 MolecularWeight: 537.6553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCCCC3)N4C=NC5=C(C4=O)C=C(C=C5)N6CCN(CC6)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCCCC3)N4C=NC5=C(C4=O)C=C(C=C5)N6CCN(CC6)C

InChI

InChI=1S/C31H35N7O2/c1-22-6-7-24(34-30(39)23-10-11-32-29(18-23)37-12-4-3-5-13-37)19-28(22)38-21-33-27-9-8-25(20-26(27)31(38)40)36-16-14-35(2)15-17-36/h6-11,18-21H,3-5,12-17H2,1-2H3,(H,34,39)