(2-methylphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (2-methylphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: [4-(6-nitro-3-pyridyl)piperazin-1-yl]-(o-tolyl)methanone CAS Name: (2-methylphenyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: [4-(6-nitro-3-pyridyl)piperazino]-(o-tolyl)methanone Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3/c1-13-4-2-3-5-15(13)17(22)20-10-8-19(9-11-20)14-6-7-16(18-12-14)21(23)24/h2-7,12H,8-11H2,1H3