4-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]butanamide

Systemtic Name: 4-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]butanamide Openeye Name: 4-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(o-tolylmethyl)pyrazol-4-yl]butanamide CAS Name: 4-(5-methyl-3-nitro-1-pyrazolyl)-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]butanamide IUPAC Name: 4-(5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]butanamide Traditional Name: N-[1-(2-methylbenzyl)pyrazol-4-yl]-4-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C19H22N6O3 MolecularWeight: 382.41638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N6O3/c1-14-6-3-4-7-16(14)12-23-13-17(11-20-23)21-19(26)8-5-9-24-15(2)10-18(22-24)25(27)28/h3-4,6-7,10-11,13H,5,8-9,12H2,1-2H3,(H,21,26)