2-[1-[(4-nitrophenyl)methyl]-1H-isoquinolin-2-yl]ethanamide

Systemtic Name: 2-[1-[(4-nitrophenyl)methyl]-1H-isoquinolin-2-yl]ethanamide Openeye Name: 2-[1-[(4-nitrophenyl)methyl]-1H-isoquinolin-2-yl]acetamide CAS Name: 2-[1-[(4-nitrophenyl)methyl]-1H-isoquinolin-2-yl]acetamide IUPAC Name: 2-[1-[(4-nitrophenyl)methyl]-1H-isoquinolin-2-yl]acetamide Traditional Name: 2-[1-(4-nitrobenzyl)-1H-isoquinolin-2-yl]acetamide Formula: C18H17N3O3 MolecularWeight: 323.34588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)CC(=O)N)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)CC(=O)N)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3/c19-18(22)12-20-10-9-14-3-1-2-4-16(14)17(20)11-13-5-7-15(8-6-13)21(23)24/h1-10,17H,11-12H2,(H2,19,22)