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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propanamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]propanamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propanamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-nitro-3-pyridyl)piperazino]propionamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)OC)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)OC)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4/c1-16(21(27)22-10-9-17-3-6-19(30-2)7-4-17)24-11-13-25(14-12-24)18-5-8-20(23-15-18)26(28)29/h3-8,15-16H,9-14H2,1-2H3,(H,22,27)