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

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-3-(4-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=C(C=N3)[N+](=O)[O-])C)Br

Isomeric SMILES

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

InChI

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