7-(1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)-5-methyl-N-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)-5-methyl-N-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 7-(1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)-5-methyl-N-(3-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 7-(1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)-5-methyl-N-(3-pyridinyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 7-(1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)-5-methyl-N-pyridin-3-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 7-(1,3-benzodioxol-5-yl)-2-(3-chlorophenyl)-5-methyl-N-(3-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Formula: C25H19ClN6O3 MolecularWeight: 486.90976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=C(N2)C3=CC(=CC=C3)Cl)C4=CC5=C(C=C4)OCO5)C(=O)NC6=CN=CC=C6

Isomeric SMILES

CC1=C(C(N2C(=N1)N=C(N2)C3=CC(=CC=C3)Cl)C4=CC5=C(C=C4)OCO5)C(=O)NC6=CN=CC=C6

InChI

InChI=1S/C25H19ClN6O3/c1-14-21(24(33)29-18-6-3-9-27-12-18)22(15-7-8-19-20(11-15)35-13-34-19)32-25(28-14)30-23(31-32)16-4-2-5-17(26)10-16/h2-12,22H,13H2,1H3,(H,29,33)(H,28,30,31)