(3,4-dimethoxyphenyl)-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-(4-nitro-3-piperidino-phenyl)piperazino]methanone Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)OC

InChI

InChI=1S/C24H30N4O5/c1-32-22-9-6-18(16-23(22)33-2)24(29)27-14-12-25(13-15-27)19-7-8-20(28(30)31)21(17-19)26-10-4-3-5-11-26/h6-9,16-17H,3-5,10-15H2,1-2H3