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

Systemtic Name: 2-(4-nitropyrazol-1-yl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]butanamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-nitropyrazol-1-yl)butanamide CAS Name: 2-(4-nitro-1-pyrazolyl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]butanamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-nitropyrazol-1-yl)butyramide Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N7O3/c1-2-14(22-10-13(8-18-22)23(25)26)15(24)19-16-17-11-21(20-16)9-12-6-4-3-5-7-12/h3-8,10-11,14H,2,9H2,1H3,(H,19,20,24)