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

Systemtic Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazino]-(o-tolyl)methanone Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H28N4O3/c1-20-6-2-5-9-24(20)27(32)29-16-14-28(15-17-29)23-10-11-25(31(33)34)26(18-23)30-13-12-21-7-3-4-8-22(21)19-30/h2-11,18H,12-17,19H2,1H3