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

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-nitrophenyl)ethanamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-nitrophenyl)acetamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-nitrophenyl)acetamide Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c25-20(11-14-1-7-19(8-2-14)24(27)28)22-18-6-5-15-9-10-23(13-17(15)12-18)21(26)16-3-4-16/h1-2,5-8,12,16H,3-4,9-11,13H2,(H,22,25)