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

Systemtic Name: (8aR,9S)-6,6-dimethyl-9-(4-methylphenyl)-2-pyridin-4-yl-1,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: (8aR,9S)-6,6-dimethyl-9-(p-tolyl)-2-(4-pyridyl)-1,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: (8aR,9S)-6,6-dimethyl-9-(4-methylphenyl)-2-pyridin-4-yl-1,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: (8aR,9S)-6,6-dimethyl-9-(4-methylphenyl)-2-pyridin-4-yl-1,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: (8aR,9S)-6,6-dimethyl-9-(p-tolyl)-2-(4-pyridyl)-1,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=O)CC(C=C3N=C4N2NC(=N4)C5=CC=NC=C5)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@H]3C(=O)CC(C=C3N=C4N2NC(=N4)C5=CC=NC=C5)(C)C

InChI

InChI=1S/C23H23N5O/c1-14-4-6-15(7-5-14)20-19-17(12-23(2,3)13-18(19)29)25-22-26-21(27-28(20)22)16-8-10-24-11-9-16/h4-12,19-20H,13H2,1-3H3,(H,25,26,27)/t19-,20-/m1/s1