(8aS,9R)-9-(3,4-dichlorophenyl)-6,6-dimethyl-2-phenyl-1,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: (8aS,9R)-9-(3,4-dichlorophenyl)-6,6-dimethyl-2-phenyl-1,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: (8aS,9R)-9-(3,4-dichlorophenyl)-6,6-dimethyl-2-phenyl-1,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: (8aS,9R)-9-(3,4-dichlorophenyl)-6,6-dimethyl-2-phenyl-1,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: (8aS,9R)-9-(3,4-dichlorophenyl)-6,6-dimethyl-2-phenyl-1,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: (8aS,9R)-9-(3,4-dichlorophenyl)-6,6-dimethyl-2-phenyl-1,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C23H20Cl2N4O MolecularWeight: 439.3371

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(N3C(=NC2=C1)N=C(N3)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl)C

Isomeric SMILES

CC1(CC(=O)[C@H]2[C@@H](N3C(=NC2=C1)N=C(N3)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C23H20Cl2N4O/c1-23(2)11-17-19(18(30)12-23)20(14-8-9-15(24)16(25)10-14)29-22(26-17)27-21(28-29)13-6-4-3-5-7-13/h3-11,19-20H,12H2,1-2H3,(H,26,27,28)/t19-,20-/m0/s1