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

Systemtic Name: [4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [4-(4-nitro-3-piperidino-phenyl)piperazino]-(3,4,5-triethoxyphenyl)methanone Formula: C28H38N4O6 MolecularWeight: 526.62452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C28H38N4O6/c1-4-36-25-18-21(19-26(37-5-2)27(25)38-6-3)28(33)31-16-14-29(15-17-31)22-10-11-23(32(34)35)24(20-22)30-12-8-7-9-13-30/h10-11,18-20H,4-9,12-17H2,1-3H3