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

Systemtic Name: 2-[4-oxidanylidene-4-(2-thiophen-3-ylpyrrolidin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-oxo-4-[2-(3-thienyl)pyrrolidin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-oxo-4-[2-(3-thiophenyl)-1-pyrrolidinyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-oxo-4-(2-thiophen-3-ylpyrrolidin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-keto-4-[2-(3-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=CSC=C5

Isomeric SMILES

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

InChI

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