ethyl 4-[(4-methylphenyl)carbamoyl]-3-(phenylmethyl)-1,2-dihydro-1,2,3-triazole-5-carboxylate

Systemtic Name: ethyl 4-[(4-methylphenyl)carbamoyl]-3-(phenylmethyl)-1,2-dihydro-1,2,3-triazole-5-carboxylate Openeye Name: ethyl 3-benzyl-4-(p-tolylcarbamoyl)-1,2-dihydrotriazole-5-carboxylate CAS Name: 4-[(4-methylanilino)-oxomethyl]-3-(phenylmethyl)-1,2-dihydrotriazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-4-[(4-methylphenyl)carbamoyl]-1,2-dihydrotriazole-5-carboxylate Traditional Name: 3-benzyl-4-(p-tolylcarbamoyl)-1,2-dihydrotriazole-5-carboxylic acid ethyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NN1)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(NN1)CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N4O3/c1-3-27-20(26)17-18(19(25)21-16-11-9-14(2)10-12-16)24(23-22-17)13-15-7-5-4-6-8-15/h4-12,22-23H,3,13H2,1-2H3,(H,21,25)