[2-[2-azanyl-4-(1,3-dihydroisoindol-2-ylcarbonyl)quinazolin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [2-[2-azanyl-4-(1,3-dihydroisoindol-2-ylcarbonyl)quinazolin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [2-[2-amino-4-(isoindoline-2-carbonyl)quinazolin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [2-[2-amino-4-[1,3-dihydroisoindol-2-yl(oxo)methyl]-6-quinazolinyl]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [2-[2-amino-4-(isoindoline-2-carbonyl)quinazolin-6-yl]phenyl]-(4-methylpiperazino)methanone Formula: C29H28N6O2 MolecularWeight: 492.57162

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC4=C(C=C3)N=C(N=C4C(=O)N5CC6=CC=CC=C6C5)N

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC4=C(C=C3)N=C(N=C4C(=O)N5CC6=CC=CC=C6C5)N

InChI

InChI=1S/C29H28N6O2/c1-33-12-14-34(15-13-33)27(36)23-9-5-4-8-22(23)19-10-11-25-24(16-19)26(32-29(30)31-25)28(37)35-17-20-6-2-3-7-21(20)18-35/h2-11,16H,12-15,17-18H2,1H3,(H2,30,31,32)