1-(4-fluorophenyl)-5-oxidanylidene-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-5-oxidanylidene-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrrolidine-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-5-oxo-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidine-3-carboxamide CAS Name: 1-(4-fluorophenyl)-5-oxo-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-fluorophenyl)-5-oxo-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidine-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-5-keto-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidine-3-carboxamide Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H22FN3O3S/c26-19-4-7-21(8-5-19)29-15-18(13-23(29)30)24(31)27-20-6-3-16-9-10-28(14-17(16)12-20)25(32)22-2-1-11-33-22/h1-8,11-12,18H,9-10,13-15H2,(H,27,31)