2-(2,5-dihydropyrrol-1-yl)-N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]pyridine-4-carboxamide

Systemtic Name: 2-(2,5-dihydropyrrol-1-yl)-N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]pyridine-4-carboxamide Openeye Name: 2-(2,5-dihydropyrrol-1-yl)-N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]phenyl]pyridine-4-carboxamide CAS Name: 2-(2,5-dihydropyrrol-1-yl)-N-[4-methyl-3-[6-(4-methyl-1-piperazinyl)-4-oxo-3-quinazolinyl]phenyl]-4-pyridinecarboxamide IUPAC Name: 2-(2,5-dihydropyrrol-1-yl)-N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]pyridine-4-carboxamide Traditional Name: N-[3-[4-keto-6-(4-methylpiperazino)quinazolin-3-yl]-4-methyl-phenyl]-2-(3-pyrrolin-1-yl)isonicotinamide Formula: C30H31N7O2 MolecularWeight: 521.61284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CC=CC3)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)N3CC=CC3)N4C=NC5=C(C4=O)C=C(C=C5)N6CCN(CC6)C

InChI

InChI=1S/C30H31N7O2/c1-21-5-6-23(33-29(38)22-9-10-31-28(17-22)36-11-3-4-12-36)18-27(21)37-20-32-26-8-7-24(19-25(26)30(37)39)35-15-13-34(2)14-16-35/h3-10,17-20H,11-16H2,1-2H3,(H,33,38)