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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC(=N2)NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N6O3/c1-14-5-7-16(8-6-14)13-23-11-9-17(21-23)20-19(26)4-3-10-24-15(2)12-18(22-24)25(27)28/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,20,21,26)