[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-nitrophenyl)methanone Openeye Name: (4-nitrophenyl)-[3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]methanone CAS Name: [3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]-(4-nitrophenyl)methanone IUPAC Name: [3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(4-nitrophenyl)methanone Traditional Name: (4-nitrophenyl)-[3-[4-(o-tolyl)piperazino]piperidino]methanone Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3/c1-18-5-2-3-7-22(18)25-15-13-24(14-16-25)21-6-4-12-26(17-21)23(28)19-8-10-20(11-9-19)27(29)30/h2-3,5,7-11,21H,4,6,12-17H2,1H3