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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]acetamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-nitro-3-pyridyl)piperazino]acetamide Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-29-18-5-2-16(3-6-18)8-9-21-20(26)15-23-10-12-24(13-11-23)17-4-7-19(22-14-17)25(27)28/h2-7,14H,8-13,15H2,1H3,(H,21,26)