2-(3-methylphenyl)-6,7-dimorpholin-4-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(3-methylphenyl)-6,7-dimorpholin-4-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 6,7-dimorpholino-2-(m-tolyl)benzo[de]isoquinoline-1,3-dione CAS Name: 2-(3-methylphenyl)-6,7-bis(4-morpholinyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3-methylphenyl)-6,7-dimorpholin-4-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 6,7-dimorpholino-2-(m-tolyl)benzo[de]isoquinoline-1,3-quinone Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)N5CCOCC5)N6CCOCC6)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)N5CCOCC5)N6CCOCC6)C2=O

InChI

InChI=1S/C27H27N3O4/c1-18-3-2-4-19(17-18)30-26(31)20-5-7-22(28-9-13-33-14-10-28)25-23(29-11-15-34-16-12-29)8-6-21(24(20)25)27(30)32/h2-8,17H,9-16H2,1H3