(3aS,4S,7aR)-4-[(2S,3S)-2-(4-chlorophenyl)-1-cyclohexyl-4-oxidanylidene-azetidin-3-yl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4S,7aR)-4-[(2S,3S)-2-(4-chlorophenyl)-1-cyclohexyl-4-oxidanylidene-azetidin-3-yl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4S,7aR)-4-[(2S,3S)-2-(4-chlorophenyl)-1-cyclohexyl-4-oxo-azetidin-3-yl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4S,7aR)-4-[(2S,3S)-2-(4-chlorophenyl)-1-cyclohexyl-4-oxo-3-azetidinyl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4S,7aR)-4-[(2S,3S)-2-(4-chlorophenyl)-1-cyclohexyl-4-oxoazetidin-3-yl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4S,7aR)-4-[(2S,3S)-2-(4-chlorophenyl)-1-cyclohexyl-4-keto-azetidin-3-yl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C29H29ClN2O3 MolecularWeight: 489.00516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(C(C2=O)C3C=CCC4C3C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CCC(CC1)N2[C@@H]([C@@H](C2=O)[C@H]3C=CC[C@@H]4[C@H]3C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C29H29ClN2O3/c30-19-16-14-18(15-17-19)26-25(29(35)31(26)20-8-3-1-4-9-20)22-12-7-13-23-24(22)28(34)32(27(23)33)21-10-5-2-6-11-21/h2,5-7,10-12,14-17,20,22-26H,1,3-4,8-9,13H2/t22-,23+,24-,25-,26+/m0/s1