4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-nitrophenyl)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-nitrophenyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-nitrophenyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-nitrophenyl)benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-nitrophenyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-nitrophenyl)benzamide Formula: C23H21N3O3 MolecularWeight: 387.43114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O3/c27-23(24-21-6-3-7-22(14-21)26(28)29)19-10-8-17(9-11-19)15-25-13-12-18-4-1-2-5-20(18)16-25/h1-11,14H,12-13,15-16H2,(H,24,27)