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

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(3-pyrrolidin-1-ylcarbonylphenyl)butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-[3-[oxo(1-pyrrolidinyl)methyl]phenyl]butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]butyramide Formula: C27H25N3O4 MolecularWeight: 455.5051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C27H25N3O4/c31-23(28-20-10-3-9-19(17-20)25(32)29-14-1-2-15-29)13-6-16-30-26(33)21-11-4-7-18-8-5-12-22(24(18)21)27(30)34/h3-5,7-12,17H,1-2,6,13-16H2,(H,28,31)