(4-bromanyl-3-nitro-phenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

Systemtic Name: (4-bromanyl-3-nitro-phenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone Openeye Name: (4-bromo-3-nitro-phenyl)-[4-(o-tolyl)piperazin-1-yl]methanone CAS Name: (4-bromo-3-nitrophenyl)-[4-(2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: (4-bromo-3-nitrophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone Traditional Name: (4-bromo-3-nitro-phenyl)-[4-(o-tolyl)piperazino]methanone Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O3/c1-13-4-2-3-5-16(13)20-8-10-21(11-9-20)18(23)14-6-7-15(19)17(12-14)22(24)25/h2-7,12H,8-11H2,1H3