2-[4-(3-methylbutyl)phenyl]-6-morpholin-4-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[4-(3-methylbutyl)phenyl]-6-morpholin-4-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-isopentylphenyl)-6-morpholino-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-(3-methylbutyl)phenyl]-6-(4-morpholinyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(3-methylbutyl)phenyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(4-isoamylphenyl)-6-morpholino-benzo[de]isoquinoline-1,3-quinone Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N5CCOCC5)C=CC=C4C2=O

Isomeric SMILES

CC(C)CCC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N5CCOCC5)C=CC=C4C2=O

InChI

InChI=1S/C27H28N2O3/c1-18(2)6-7-19-8-10-20(11-9-19)29-26(30)22-5-3-4-21-24(28-14-16-32-17-15-28)13-12-23(25(21)22)27(29)31/h3-5,8-13,18H,6-7,14-17H2,1-2H3