[3-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [3-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-(4-nitro-3-piperidino-phenyl)piperazino]-(3,4,5-trimethoxyphenyl)methanone Formula: C25H32N4O6 MolecularWeight: 484.54478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCNC(C2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCNC(C2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C25H32N4O6/c1-33-22-14-18(15-23(34-2)24(22)35-3)25(30)28-12-9-26-19(16-28)17-7-8-20(29(31)32)21(13-17)27-10-5-4-6-11-27/h7-8,13-15,19,26H,4-6,9-12,16H2,1-3H3