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

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]butanamide Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]butanamide CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]butanamide IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]butanamide Traditional Name: N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C18H21N7O3 MolecularWeight: 383.40444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O3/c1-4-15(24-13(3)9-16(21-24)25(27)28)17(26)20-18-19-11-23(22-18)10-14-7-5-12(2)6-8-14/h5-9,11,15H,4,10H2,1-3H3,(H,20,22,26)