6-(3-ethoxy-4-oxidanyl-phenyl)-9,9-dimethyl-5-(phenylcarbonyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(3-ethoxy-4-oxidanyl-phenyl)-9,9-dimethyl-5-(phenylcarbonyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-benzoyl-6-(3-ethoxy-4-hydroxy-phenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 5-benzoyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-benzoyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-benzoyl-6-(3-ethoxy-4-hydroxy-phenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2C(=O)C5=CC=CC=C5)(C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2C(=O)C5=CC=CC=C5)(C)C)O

InChI

InChI=1S/C30H30N2O4/c1-4-36-26-16-20(14-15-24(26)33)28-27-22(17-30(2,3)18-25(27)34)31-21-12-8-9-13-23(21)32(28)29(35)19-10-6-5-7-11-19/h5-17,27-28,31,33H,4,18H2,1-3H3