2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-quinazolin-2-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-quinazolin-2-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxo-quinazolin-2-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[3-(1-methyl-2-benzimidazolyl)-4-oxo-2-quinazolinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-(1-methylbenzimidazol-2-yl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-keto-3-(1-methylbenzimidazol-2-yl)quinazolin-2-yl]propyl]isoindoline-1,3-quinone Formula: C27H21N5O3 MolecularWeight: 463.48734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1N3C(=NC4=CC=CC=C4C3=O)CCCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1N3C(=NC4=CC=CC=C4C3=O)CCCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C27H21N5O3/c1-30-22-14-7-6-13-21(22)29-27(30)32-23(28-20-12-5-4-11-19(20)26(32)35)15-8-16-31-24(33)17-9-2-3-10-18(17)25(31)34/h2-7,9-14H,8,15-16H2,1H3