2-(4-nitrophenyl)-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide

Systemtic Name: 2-(4-nitrophenyl)-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-(4-nitrophenyl)-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide CAS Name: 2-(4-nitrophenyl)-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]acetamide IUPAC Name: 2-(4-nitrophenyl)-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Traditional Name: 2-(4-nitrophenyl)-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide Formula: C22H19N3O4S MolecularWeight: 421.46896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C22H19N3O4S/c26-21(12-15-3-7-19(8-4-15)25(28)29)23-18-6-5-16-9-10-24(14-17(16)13-18)22(27)20-2-1-11-30-20/h1-8,11,13H,9-10,12,14H2,(H,23,26)