(9S)-2-(4-methylphenyl)-9-pyridin-3-yl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: (9S)-2-(4-methylphenyl)-9-pyridin-3-yl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: (9S)-2-(p-tolyl)-9-(3-pyridyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: (9S)-2-(4-methylphenyl)-9-(3-pyridinyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: (9S)-2-(4-methylphenyl)-9-pyridin-3-yl-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: (9S)-2-(p-tolyl)-9-(3-pyridyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C21H19N5O MolecularWeight: 357.40846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=NC4=C(C(N3N2)C5=CN=CC=C5)C(=O)CCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=NC4=C([C@@H](N3N2)C5=CN=CC=C5)C(=O)CCC4

InChI

InChI=1S/C21H19N5O/c1-13-7-9-14(10-8-13)20-24-21-23-16-5-2-6-17(27)18(16)19(26(21)25-20)15-4-3-11-22-12-15/h3-4,7-12,19H,2,5-6H2,1H3,(H,23,24,25)/t19-/m0/s1