6-(2,3-dimethoxyphenyl)-9,9-dimethyl-5-[2,2,2-tris(fluoranyl)ethanoyl]-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(2,3-dimethoxyphenyl)-9,9-dimethyl-5-[2,2,2-tris(fluoranyl)ethanoyl]-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(2,3-dimethoxyphenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(2,3-dimethoxyphenyl)-9,9-dimethyl-5-(2,2,2-trifluoro-1-oxoethyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(2,3-dimethoxyphenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(2,3-dimethoxyphenyl)-9,9-dimethyl-5-(2,2,2-trifluoroacetyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C25H25F3N2O4 MolecularWeight: 474.47221

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=O)C(F)(F)F)C4=C(C(=CC=C4)OC)OC)C

Isomeric SMILES

CC1(CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=O)C(F)(F)F)C4=C(C(=CC=C4)OC)OC)C

InChI

InChI=1S/C25H25F3N2O4/c1-24(2)12-16-20(18(31)13-24)21(14-8-7-11-19(33-3)22(14)34-4)30(23(32)25(26,27)28)17-10-6-5-9-15(17)29-16/h5-12,20-21,29H,13H2,1-4H3