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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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