N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide

Systemtic Name: N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide Openeye Name: 1-(phenoxymethyl)-N-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide CAS Name: N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-(phenoxymethyl)-3-pyrazolecarboxamide IUPAC Name: N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide Traditional Name: N-[1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4

InChI

InChI=1S/C21H20N6O2/c1-16-7-9-17(10-8-16)13-27-14-22-21(25-27)23-20(28)19-11-12-26(24-19)15-29-18-5-3-2-4-6-18/h2-12,14H,13,15H2,1H3,(H,23,25,28)