3-(4-nitroimidazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide

Systemtic Name: 3-(4-nitroimidazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide Openeye Name: 3-(4-nitroimidazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide CAS Name: 3-(4-nitro-1-imidazolyl)-N-[[4-(1-pyrazolyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-nitroimidazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide Traditional Name: 3-(4-nitroimidazol-1-yl)-N-(4-pyrazol-1-ylbenzyl)propionamide Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CNC(=O)CCN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CNC(=O)CCN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O3/c23-16(6-9-20-11-15(18-12-20)22(24)25)17-10-13-2-4-14(5-3-13)21-8-1-7-19-21/h1-5,7-8,11-12H,6,9-10H2,(H,17,23)