(6R,6aS)-6-(4-tert-butylphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aS)-6-(4-tert-butylphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aS)-6-(4-tert-butylphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aS)-6-(4-tert-butylphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aS)-6-(4-tert-butylphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aS)-6-(4-tert-butylphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C25H30N2O MolecularWeight: 374.5185

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(NC3=CC=CC=C3NC2=C1)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1(CC(=O)[C@H]2[C@@H](NC3=CC=CC=C3NC2=C1)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C25H30N2O/c1-24(2,3)17-12-10-16(11-13-17)23-22-20(14-25(4,5)15-21(22)28)26-18-8-6-7-9-19(18)27-23/h6-14,22-23,26-27H,15H2,1-5H3/t22-,23-/m0/s1