2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(3-nitrophenyl)-2-thiazolyl]acetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O3S/c25-19(12-23-9-8-14-4-1-2-5-16(14)11-23)22-20-21-18(13-28-20)15-6-3-7-17(10-15)24(26)27/h1-7,10,13H,8-9,11-12H2,(H,21,22,25)