2-(2-methylphenoxy)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-methylphenoxy)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-methylphenoxy)-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(2-methylphenoxy)-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-methylphenoxy)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-methylphenoxy)-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]ethanone Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C24H30N4O4/c1-19-7-3-4-8-23(19)32-18-24(29)27-15-13-25(14-16-27)20-9-10-21(28(30)31)22(17-20)26-11-5-2-6-12-26/h3-4,7-10,17H,2,5-6,11-16,18H2,1H3