N-butan-2-yl-3-(4-fluorophenyl)carbonyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxamide

Systemtic Name: N-butan-2-yl-3-(4-fluorophenyl)carbonyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxamide Openeye Name: 3-(4-fluorobenzoyl)-N-sec-butyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxamide CAS Name: N-butan-2-yl-3-[(4-fluorophenyl)-oxomethyl]-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxamide IUPAC Name: N-butan-2-yl-3-(4-fluorobenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxamide Traditional Name: 3-(4-fluorobenzoyl)-N-sec-butyl-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxamide Formula: C24H24FN3O2 MolecularWeight: 405.464663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CN(CCC2=C1NC3=CC=CC=C23)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C)NC(=O)C1=CN(CCC2=C1NC3=CC=CC=C23)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN3O2/c1-3-15(2)26-23(29)20-14-28(24(30)16-8-10-17(25)11-9-16)13-12-19-18-6-4-5-7-21(18)27-22(19)20/h4-11,14-15,27H,3,12-13H2,1-2H3,(H,26,29)