3-[3,4-bis(fluoranyl)phenyl]carbonyl-N-cyclobutyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxamide

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]carbonyl-N-cyclobutyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxamide Openeye Name: N-cyclobutyl-3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxamide CAS Name: N-cyclobutyl-3-[(3,4-difluorophenyl)-oxomethyl]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxamide IUPAC Name: N-cyclobutyl-3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxamide Traditional Name: N-cyclobutyl-3-(3,4-difluorobenzoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxamide Formula: C26H25F2N3O2 MolecularWeight: 449.492406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C=C(C2=C1C3=CC=CC=C3N2)C(=O)NC4CCC4)C(=O)C5=CC(=C(C=C5)F)F)C

Isomeric SMILES

CC1(CN(C=C(C2=C1C3=CC=CC=C3N2)C(=O)NC4CCC4)C(=O)C5=CC(=C(C=C5)F)F)C

InChI

InChI=1S/C26H25F2N3O2/c1-26(2)14-31(25(33)15-10-11-19(27)20(28)12-15)13-18(24(32)29-16-6-5-7-16)23-22(26)17-8-3-4-9-21(17)30-23/h3-4,8-13,16,30H,5-7,14H2,1-2H3,(H,29,32)