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

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]butanamide Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[1-(o-tolylmethyl)pyrazol-4-yl]butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]butanamide IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]butanamide Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[1-(2-methylbenzyl)pyrazol-4-yl]butyramide Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O3/c1-14-7-4-5-8-17(14)12-24-13-18(11-21-24)22-19(27)9-6-10-25-16(3)20(26(28)29)15(2)23-25/h4-5,7-8,11,13H,6,9-10,12H2,1-3H3,(H,22,27)