3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]propionamide Formula: C19H21BrN6O3 MolecularWeight: 461.31244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN6O3/c1-12-6-4-5-7-15(12)10-25-14(3)18(13(2)22-25)21-17(27)8-9-24-11-16(20)19(23-24)26(28)29/h4-7,11H,8-10H2,1-3H3,(H,21,27)