6-(azepan-1-yl)-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-(azepan-1-yl)-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(azepan-1-yl)-2-(8-methyl-5-quinolyl)benzo[de]isoquinoline-1,3-dione CAS Name: 6-(1-azepanyl)-2-(8-methyl-5-quinolinyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(azepan-1-yl)-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione Traditional Name: 6-(azepan-1-yl)-2-(8-methyl-5-quinolyl)benzo[de]isoquinoline-1,3-quinone Formula: C28H25N3O2 MolecularWeight: 435.517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)N3C(=O)C4=C5C(=C(C=C4)N6CCCCCC6)C=CC=C5C3=O)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)N3C(=O)C4=C5C(=C(C=C4)N6CCCCCC6)C=CC=C5C3=O)C=CC=N2

InChI

InChI=1S/C28H25N3O2/c1-18-11-13-24(20-10-7-15-29-26(18)20)31-27(32)21-9-6-8-19-23(30-16-4-2-3-5-17-30)14-12-22(25(19)21)28(31)33/h6-15H,2-5,16-17H2,1H3