N-(4-butylphenyl)-4-(3-nitropyridin-2-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-butylphenyl)-4-(3-nitropyridin-2-yl)piperazine-1-carboxamide Openeye Name: N-(4-butylphenyl)-4-(3-nitro-2-pyridyl)piperazine-1-carboxamide CAS Name: N-(4-butylphenyl)-4-(3-nitro-2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-(4-butylphenyl)-4-(3-nitropyridin-2-yl)piperazine-1-carboxamide Traditional Name: N-(4-butylphenyl)-4-(3-nitro-2-pyridyl)piperazine-1-carboxamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3/c1-2-3-5-16-7-9-17(10-8-16)22-20(26)24-14-12-23(13-15-24)19-18(25(27)28)6-4-11-21-19/h4,6-11H,2-3,5,12-15H2,1H3,(H,22,26)