3-[2-(4-bromophenyl)ethanoylamino]-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]propanamide

Systemtic Name: 3-[2-(4-bromophenyl)ethanoylamino]-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]propanamide Openeye Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]propanamide CAS Name: 3-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]propanamide IUPAC Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]propanamide Traditional Name: 3-[[2-(4-bromophenyl)acetyl]amino]-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]propionamide Formula: C26H25BrN4O4 MolecularWeight: 537.4051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)CC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)CC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C26H25BrN4O4/c27-21-8-5-17(6-9-21)13-26(33)29-22(15-25(28)32)19-7-10-23(24(14-19)31(34)35)30-12-11-18-3-1-2-4-20(18)16-30/h1-10,14,22H,11-13,15-16H2,(H2,28,32)(H,29,33)