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

Systemtic Name: [1-(4-methylphenyl)carbonylpiperidin-3-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: [1-(4-methylbenzoyl)-3-piperidyl]-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: [1-[(4-methylphenyl)-oxomethyl]-3-piperidinyl]-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-methylbenzoyl)piperidin-3-yl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: [4-(6-nitro-3-pyridyl)piperazino]-(1-p-toluoyl-3-piperidyl)methanone Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4/c1-17-4-6-18(7-5-17)22(29)27-10-2-3-19(16-27)23(30)26-13-11-25(12-14-26)20-8-9-21(24-15-20)28(31)32/h4-9,15,19H,2-3,10-14,16H2,1H3