3-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: 3-(5-methyl-3-nitro-1-pyrazolyl)-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-(5-methyl-3-nitro-pyrazol-1-yl)propionamide Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=NN(C=N2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=NN(C=N2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N7O3/c1-12-9-14(23(25)26)19-22(12)8-7-15(24)18-16-17-11-21(20-16)10-13-5-3-2-4-6-13/h2-6,9,11H,7-8,10H2,1H3,(H,18,20,24)