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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propionamide Formula: C18H21N7O3 MolecularWeight: 383.40444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=NN(C=N2)CC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NC2=NN(C=N2)CC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N7O3/c1-12(9-24-14(3)16(25(27)28)13(2)21-24)17(26)20-18-19-11-23(22-18)10-15-7-5-4-6-8-15/h4-8,11-12H,9-10H2,1-3H3,(H,20,22,26)