2-[4-oxidanylidene-4-(2-thiophen-2-ylpyrrolidin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[4-oxidanylidene-4-(2-thiophen-2-ylpyrrolidin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-oxo-4-[2-(2-thienyl)pyrrolidin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-oxo-4-(2-thiophen-2-yl-1-pyrrolidinyl)butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-keto-4-[2-(2-thienyl)pyrrolidino]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CS5

InChI

InChI=1S/C24H22N2O3S/c27-21(25-13-3-10-19(25)20-11-5-15-30-20)12-4-14-26-23(28)17-8-1-6-16-7-2-9-18(22(16)17)24(26)29/h1-2,5-9,11,15,19H,3-4,10,12-14H2