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

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]carbonyl-1,1-dimethyl-N-propan-2-yl-2,6-dihydroazepino[4,5-b]indole-5-carboxamide Openeye Name: 3-(3,4-difluorobenzoyl)-N-isopropyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxamide CAS Name: 3-[(3,4-difluorophenyl)-oxomethyl]-1,1-dimethyl-N-propan-2-yl-2,6-dihydroazepino[4,5-b]indole-5-carboxamide IUPAC Name: 3-(3,4-difluorobenzoyl)-1,1-dimethyl-N-propan-2-yl-2,6-dihydroazepino[4,5-b]indole-5-carboxamide Traditional Name: 3-(3,4-difluorobenzoyl)-N-isopropyl-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxamide Formula: C25H25F2N3O2 MolecularWeight: 437.481706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

CC(C)NC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C25H25F2N3O2/c1-14(2)28-23(31)17-12-30(24(32)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)29-22(17)21/h5-12,14,29H,13H2,1-4H3,(H,28,31)