4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-(2-methyl-4-pyrrolidino-phenyl)butyramide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C27H27N3O3/c1-18-17-20(29-14-2-3-15-29)12-13-23(18)28-24(31)11-6-16-30-26(32)21-9-4-7-19-8-5-10-22(25(19)21)27(30)33/h4-5,7-10,12-13,17H,2-3,6,11,14-16H2,1H3,(H,28,31)