(5S,9'aR)-7'-methyl-9'a-phenyl-3,3'-bis(2,4,6-trimethylphenyl)spiro[4H-1,2-oxazole-5,8'-6,9-dihydro-5H-[1,2,4]oxadiazolo[4,5-d][1,4]diazepine]

Systemtic Name: (5S,9'aR)-7'-methyl-9'a-phenyl-3,3'-bis(2,4,6-trimethylphenyl)spiro[4H-1,2-oxazole-5,8'-6,9-dihydro-5H-[1,2,4]oxadiazolo[4,5-d][1,4]diazepine] Openeye Name: (5S,9'aR)-7'-methyl-9'a-phenyl-3,3'-bis(2,4,6-trimethylphenyl)spiro[4H-isoxazole-5,8'-6,9-dihydro-5H-[1,2,4]oxadiazolo[4,5-d][1,4]diazepine] CAS Name: (5S,9'aR)-7'-methyl-9'a-phenyl-3,3'-bis(2,4,6-trimethylphenyl)spiro[4H-isoxazole-5,8'-6,9-dihydro-5H-[1,2,4]oxadiazolo[4,5-d][1,4]diazepine] IUPAC Name: (5S,9'aR)-7'-methyl-9'a-phenyl-3,3'-bis(2,4,6-trimethylphenyl)spiro[4H-1,2-oxazole-5,8'-6,9-dihydro-5H-[1,2,4]oxadiazolo[4,5-d][1,4]diazepine] Traditional Name: (5S,9'aR)-3,3'-dimesityl-7'-methyl-9'a-phenyl-spiro[2-isoxazoline-5,8'-6,9-dihydro-5H-[1,2,4]oxadiazolo[4,5-d][1,4]diazepine] Formula: C33H38N4O2 MolecularWeight: 522.68042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC3(C2)CC4(N(CCN3C)C(=NO4)C5=C(C=C(C=C5C)C)C)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NO[C@@]3(C2)C[C@]4(N(CCN3C)C(=NO4)C5=C(C=C(C=C5C)C)C)C6=CC=CC=C6)C

InChI

InChI=1S/C33H38N4O2/c1-21-15-23(3)29(24(4)16-21)28-19-32(38-34-28)20-33(27-11-9-8-10-12-27)37(14-13-36(32)7)31(35-39-33)30-25(5)17-22(2)18-26(30)6/h8-12,15-18H,13-14,19-20H2,1-7H3/t32-,33+/m0/s1