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

Systemtic Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazino]-phenyl-methanone Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c31-26(21-7-2-1-3-8-21)28-16-14-27(15-17-28)23-10-11-24(30(32)33)25(18-23)29-13-12-20-6-4-5-9-22(20)19-29/h1-11,18H,12-17,19H2