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

Systemtic Name: 5-oxidanylidene-1-phenyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrrolidine-3-carboxamide Openeye Name: 5-oxo-1-phenyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidine-3-carboxamide CAS Name: 5-oxo-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenyl-3-pyrrolidinecarboxamide IUPAC Name: 5-oxo-1-phenyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-phenyl-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyrrolidine-3-carboxamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S/c29-23-14-19(16-28(23)21-5-2-1-3-6-21)24(30)26-20-9-8-17-10-11-27(15-18(17)13-20)25(31)22-7-4-12-32-22/h1-9,12-13,19H,10-11,14-16H2,(H,26,30)