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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(N(N=C1C)CC2=CC=CC=C2C)C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=C(N(N=C1C)CC2=CC=CC=C2C)C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O3/c1-5-18(25-12-17(10-21-25)26(28)29)20(27)22-19-14(3)23-24(15(19)4)11-16-9-7-6-8-13(16)2/h6-10,12,18H,5,11H2,1-4H3,(H,22,27)