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

Systemtic Name: 3-(4-fluorophenyl)carbonyl-N-propyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxamide Openeye Name: 3-(4-fluorobenzoyl)-N-propyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxamide CAS Name: 3-[(4-fluorophenyl)-oxomethyl]-N-propyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxamide IUPAC Name: 3-(4-fluorobenzoyl)-N-propyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxamide Traditional Name: 3-(4-fluorobenzoyl)-N-propyl-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxamide Formula: C23H22FN3O2 MolecularWeight: 391.438083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22FN3O2/c1-2-12-25-22(28)19-14-27(23(29)15-7-9-16(24)10-8-15)13-11-18-17-5-3-4-6-20(17)26-21(18)19/h3-10,14,26H,2,11-13H2,1H3,(H,25,28)