3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-(o-tolylmethyl)pyrazol-3-yl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[1-(2-methylbenzyl)pyrazol-3-yl]propionamide Formula: C17H17BrN6O3 MolecularWeight: 433.25928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC(=N2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

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