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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C(C)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C(C)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O3/c1-12-3-5-14(6-4-12)9-23-11-18-17(21-23)20-16(25)13(2)8-22-10-15(7-19-22)24(26)27/h3-7,10-11,13H,8-9H2,1-2H3,(H,20,21,25)