6-(3-bromanyl-4,5-dimethoxy-phenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(3-bromanyl-4,5-dimethoxy-phenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(3-bromo-4,5-dimethoxy-phenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(3-bromo-4,5-dimethoxyphenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(3-bromo-4,5-dimethoxyphenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(3-bromo-4,5-dimethoxy-phenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C25H29BrN2O3 MolecularWeight: 485.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C(=C4)Br)OC)OC)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C(=C4)Br)OC)OC)C(=O)CC(C3)(C)C

InChI

InChI=1S/C25H29BrN2O3/c1-13-7-17-18(8-14(13)2)28-23(15-9-16(26)24(31-6)21(10-15)30-5)22-19(27-17)11-25(3,4)12-20(22)29/h7-10,23,27-28H,11-12H2,1-6H3