6-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(3-bromo-5-ethoxy-4-hydroxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(3-bromo-5-ethoxy-4-hydroxyphenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-9-(4-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C28H27BrN2O4 MolecularWeight: 535.42898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5N2)Br)O

InChI

InChI=1S/C28H27BrN2O4/c1-3-35-25-15-18(12-20(29)28(25)33)27-26-23(30-21-6-4-5-7-22(21)31-27)13-17(14-24(26)32)16-8-10-19(34-2)11-9-16/h4-12,15,17,27,30-31,33H,3,13-14H2,1-2H3