N-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethyl]-4-[(4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C18H19BrN6O3 MolecularWeight: 447.28586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCNC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1CCNC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)[N+](=O)[O-])C)Br

InChI

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