ethyl 3-[3,4-bis(fluoranyl)phenyl]carbonyl-8-(cyclopropylcarbamoyloxy)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 3-[3,4-bis(fluoranyl)phenyl]carbonyl-8-(cyclopropylcarbamoyloxy)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 8-(cyclopropylcarbamoyloxy)-3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 8-[(cyclopropylamino)-oxomethoxy]-3-[(3,4-difluorophenyl)-oxomethyl]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(cyclopropylcarbamoyloxy)-3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 8-(cyclopropylcarbamoyloxy)-3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C28H27F2N3O5 MolecularWeight: 523.527886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)NC4CC4)(C)C)C(=O)C5=CC(=C(C=C5)F)F

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)OC(=O)NC4CC4)(C)C)C(=O)C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C28H27F2N3O5/c1-4-37-26(35)19-13-33(25(34)15-5-10-20(29)21(30)11-15)14-28(2,3)23-18-9-8-17(12-22(18)32-24(19)23)38-27(36)31-16-6-7-16/h5,8-13,16,32H,4,6-7,14H2,1-3H3,(H,31,36)