(3aS,7aS)-2-[(7R)-7-(4-chlorophenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,7aS)-2-[(7R)-7-(4-chlorophenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,7aS)-2-[(7R)-7-(4-chlorophenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,7aS)-2-[(7R)-7-(4-chlorophenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,7aS)-2-[(7R)-7-(4-chlorophenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,7aS)-2-[(7R)-7-(4-chlorophenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C25H20ClN5O2 MolecularWeight: 457.9116

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=NC4=NC(=CC(N4N3)C5=CC=C(C=C5)Cl)C6=CC=CC=C6

Isomeric SMILES

C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)C3=NC4=NC(=C[C@@H](N4N3)C5=CC=C(C=C5)Cl)C6=CC=CC=C6

InChI

InChI=1S/C25H20ClN5O2/c26-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)27-24-28-25(29-31(21)24)30-22(32)18-8-4-5-9-19(18)23(30)33/h1-7,10-14,18-19,21H,8-9H2,(H,27,28,29)/t18-,19-,21+/m0/s1