N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]acetamide Traditional Name: N-homoveratryl-2-[4-(6-nitro-3-pyridyl)piperazino]acetamide Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H27N5O5/c1-30-18-5-3-16(13-19(18)31-2)7-8-22-21(27)15-24-9-11-25(12-10-24)17-4-6-20(23-14-17)26(28)29/h3-6,13-14H,7-12,15H2,1-2H3,(H,22,27)