ethyl 7-(4-ethoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 7-(4-ethoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 7-(4-ethoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-(4-ethoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-ethoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-phenyl-7-p-phenetyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(N=C3N2NC=N3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(N=C3N2NC=N3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C22H22N4O3/c1-3-28-17-12-10-16(11-13-17)20-18(21(27)29-4-2)19(15-8-6-5-7-9-15)25-22-23-14-24-26(20)22/h5-14,20H,3-4H2,1-2H3,(H,23,24,25)