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

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-[2-pyrrolidino-2-(2-thienyl)ethyl]butyramide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)C(CNC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CS5

InChI

InChI=1S/C26H27N3O3S/c30-23(27-17-21(22-11-6-16-33-22)28-13-1-2-14-28)12-5-15-29-25(31)19-9-3-7-18-8-4-10-20(24(18)19)26(29)32/h3-4,6-11,16,21H,1-2,5,12-15,17H2,(H,27,30)