(6S,6aS)-6-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-9,9-dimethyl-2-(phenylcarbonyl)-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S,6aS)-6-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-9,9-dimethyl-2-(phenylcarbonyl)-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S,6aS)-2-benzoyl-6-(4-hydroxy-3-iodo-5-methoxy-phenyl)-9,9-dimethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6S,6aS)-2-benzoyl-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-9,9-dimethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S,6aS)-2-benzoyl-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-9,9-dimethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S,6aS)-2-benzoyl-6-(4-hydroxy-3-iodo-5-methoxy-phenyl)-9,9-dimethyl-6,6a,8,10-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C29H27IN2O4 MolecularWeight: 594.44015

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC3=C(C=CC(=C3)C(=O)C4=CC=CC=C4)NC(C2C(=O)C1)C5=CC(=C(C(=C5)I)O)OC)C

Isomeric SMILES

CC1(CC2=NC3=C(C=CC(=C3)C(=O)C4=CC=CC=C4)N[C@@H]([C@@H]2C(=O)C1)C5=CC(=C(C(=C5)I)O)OC)C

InChI

InChI=1S/C29H27IN2O4/c1-29(2)14-22-25(23(33)15-29)26(18-11-19(30)28(35)24(13-18)36-3)32-20-10-9-17(12-21(20)31-22)27(34)16-7-5-4-6-8-16/h4-13,25-26,32,35H,14-15H2,1-3H3/t25-,26+/m0/s1