2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]ethanone Formula: C25H31ClN4O4 MolecularWeight: 486.99104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C25H31ClN4O4/c1-18-14-21(15-19(2)25(18)26)34-17-24(31)29-12-10-27(11-13-29)20-6-7-22(30(32)33)23(16-20)28-8-4-3-5-9-28/h6-7,14-16H,3-5,8-13,17H2,1-2H3