3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[3-(1-pyrazolylmethyl)phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propionamide Formula: C16H15BrN6O3 MolecularWeight: 419.2327

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)CN3C=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)CN3C=CC=N3

InChI

InChI=1S/C16H15BrN6O3/c17-14-11-22(20-16(14)23(25)26)8-5-15(24)19-13-4-1-3-12(9-13)10-21-7-2-6-18-21/h1-4,6-7,9,11H,5,8,10H2,(H,19,24)