3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[3-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]propionamide Formula: C18H19BrN6O3 MolecularWeight: 447.28586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C18H19BrN6O3/c1-12-8-13(2)24(21-12)10-14-4-3-5-15(9-14)20-17(26)6-7-23-11-16(19)18(22-23)25(27)28/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,26)