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

Systemtic Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-(5-methyl-3-nitro-1-pyrazolyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-(5-methyl-3-nitropyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-3-(5-methyl-3-nitro-pyrazol-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)CCN3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)CCN3C(=CC(=N3)[N+](=O)[O-])C

InChI

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