3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-(m-tolylmethyl)pyrazol-4-yl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[1-[(3-methylphenyl)methyl]-4-pyrazolyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-(3-methylbenzyl)pyrazol-4-yl]propionamide Formula: C17H17BrN6O3 MolecularWeight: 433.25928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H17BrN6O3/c1-12-3-2-4-13(7-12)9-23-10-14(8-19-23)20-16(25)5-6-22-11-15(18)17(21-22)24(26)27/h2-4,7-8,10-11H,5-6,9H2,1H3,(H,20,25)