4-(6-nitropyridin-3-yl)-N-(4-pentylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(6-nitropyridin-3-yl)-N-(4-pentylphenyl)piperazine-1-carboxamide Openeye Name: 4-(6-nitro-3-pyridyl)-N-(4-pentylphenyl)piperazine-1-carboxamide CAS Name: 4-(6-nitro-3-pyridinyl)-N-(4-pentylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(6-nitropyridin-3-yl)-N-(4-pentylphenyl)piperazine-1-carboxamide Traditional Name: N-(4-amylphenyl)-4-(6-nitro-3-pyridyl)piperazine-1-carboxamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O3/c1-2-3-4-5-17-6-8-18(9-7-17)23-21(27)25-14-12-24(13-15-25)19-10-11-20(22-16-19)26(28)29/h6-11,16H,2-5,12-15H2,1H3,(H,23,27)