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

Systemtic Name: N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: 2-(4-nitropyrazol-1-yl)-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]butanamide CAS Name: N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C17H19N7O3 MolecularWeight: 369.37786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN(C=N1)CC2=CC=C(C=C2)C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=NN(C=N1)CC2=CC=C(C=C2)C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O3/c1-3-15(23-10-14(8-19-23)24(26)27)16(25)20-17-18-11-22(21-17)9-13-6-4-12(2)5-7-13/h4-8,10-11,15H,3,9H2,1-2H3,(H,20,21,25)