N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Traditional Name: N-homoveratryl-3-nitro-4-[4-(2-pyridyl)piperazino]benzamide Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-])OC

InChI

InChI=1S/C26H29N5O5/c1-35-23-9-6-19(17-24(23)36-2)10-12-28-26(32)20-7-8-21(22(18-20)31(33)34)29-13-15-30(16-14-29)25-5-3-4-11-27-25/h3-9,11,17-18H,10,12-16H2,1-2H3,(H,28,32)