N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-4-nitro-benzamide Openeye Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3-pyridyl)ethyl]-4-nitro-benzamide CAS Name: N-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-4-nitrobenzamide Traditional Name: N-[2-[4-(4-methoxyphenyl)piperazino]-2-(3-pyridyl)ethyl]-4-nitro-benzamide Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4

InChI

InChI=1S/C25H27N5O4/c1-34-23-10-8-21(9-11-23)28-13-15-29(16-14-28)24(20-3-2-12-26-17-20)18-27-25(31)19-4-6-22(7-5-19)30(32)33/h2-12,17,24H,13-16,18H2,1H3,(H,27,31)