4,5-dimethoxy-2-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C27H31N5O5 MolecularWeight: 505.56554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H31N5O5/c1-36-25-15-22(23(32(34)35)16-26(25)37-2)27(33)29-18-24(21-9-6-10-28-17-21)31-13-11-30(12-14-31)19-20-7-4-3-5-8-20/h3-10,15-17,24H,11-14,18-19H2,1-2H3,(H,29,33)