[4-[5-methyl-6-(pyridin-2-ylcarbamoyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl] benzoate

Systemtic Name: [4-[5-methyl-6-(pyridin-2-ylcarbamoyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl] benzoate Openeye Name: [4-[5-methyl-6-(2-pyridylcarbamoyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl] benzoate CAS Name: benzoic acid [4-[5-methyl-6-[oxo-(2-pyridinylamino)methyl]-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl] ester IUPAC Name: [4-[5-methyl-6-(pyridin-2-ylcarbamoyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[5-methyl-6-(2-pyridylcarbamoyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl] ester Formula: C25H20N6O3 MolecularWeight: 452.4647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)NC5=CC=CC=N5

Isomeric SMILES

CC1=C(C(N2C(=N1)N=CN2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)NC5=CC=CC=N5

InChI

InChI=1S/C25H20N6O3/c1-16-21(23(32)30-20-9-5-6-14-26-20)22(31-25(29-16)27-15-28-31)17-10-12-19(13-11-17)34-24(33)18-7-3-2-4-8-18/h2-15,22H,1H3,(H,26,30,32)(H,27,28,29)