2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrophenyl)carbonylamino]-N-phenethyl-benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrophenyl)carbonylamino]-N-phenethyl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrobenzoyl)amino]-N-phenethyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(4-nitrophenyl)-oxomethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrobenzoyl)amino]-N-phenethylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-nitrobenzoyl)amino]-N-phenethyl-benzamide Formula: C31H28N4O4 MolecularWeight: 520.57842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H28N4O4/c36-30(24-10-13-27(14-11-24)35(38)39)33-26-12-15-29(34-19-17-23-8-4-5-9-25(23)21-34)28(20-26)31(37)32-18-16-22-6-2-1-3-7-22/h1-15,20H,16-19,21H2,(H,32,37)(H,33,36)