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

Systemtic Name: (2-bromophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (2-bromophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (2-bromophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (2-bromophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (2-bromophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazino]methanone Formula: C26H25BrN4O3 MolecularWeight: 521.4057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5Br)[N+](=O)[O-]

InChI

InChI=1S/C26H25BrN4O3/c27-23-8-4-3-7-22(23)26(32)29-15-13-28(14-16-29)21-9-10-24(31(33)34)25(17-21)30-12-11-19-5-1-2-6-20(19)18-30/h1-10,17H,11-16,18H2