[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(4-methyl-1-piperidyl)-3-nitro-phenyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(4-methylpiperidino)-3-nitro-phenyl]-[4-(2-pyridyl)piperazino]methanone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O3/c1-17-7-10-24(11-8-17)19-6-5-18(16-20(19)27(29)30)22(28)26-14-12-25(13-15-26)21-4-2-3-9-23-21/h2-6,9,16-17H,7-8,10-15H2,1H3