N-(4-fluorophenyl)-5-methyl-2-(3-oxidanylpropyl)-7-(3-phenylmethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: N-(4-fluorophenyl)-5-methyl-2-(3-oxidanylpropyl)-7-(3-phenylmethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 7-(3-benzyloxyphenyl)-N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-7-(3-phenylmethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-7-(3-phenylmethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 7-(3-benzoxyphenyl)-N-(4-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Formula: C29H28FN5O3 MolecularWeight: 513.562723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C(N2C(=N1)N=C(N2)CCCO)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C29H28FN5O3/c1-19-26(28(37)32-23-14-12-22(30)13-15-23)27(35-29(31-19)33-25(34-35)11-6-16-36)21-9-5-10-24(17-21)38-18-20-7-3-2-4-8-20/h2-5,7-10,12-15,17,27,36H,6,11,16,18H2,1H3,(H,32,37)(H,31,33,34)