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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1)CC2=CC=CC(=C2)C)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1)CC2=CC=CC(=C2)C)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

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