propyl 8-fluoranyl-3-(4-fluorophenyl)carbonyl-2-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: propyl 8-fluoranyl-3-(4-fluorophenyl)carbonyl-2-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: propyl 8-fluoro-3-(4-fluorobenzoyl)-2-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 8-fluoro-3-[(4-fluorophenyl)-oxomethyl]-2-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid propyl ester IUPAC Name: propyl 8-fluoro-3-(4-fluorobenzoyl)-2-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 8-fluoro-3-(4-fluorobenzoyl)-2-methyl-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxylic acid propyl ester Formula: C24H22F2N2O3 MolecularWeight: 424.439886

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CN(C(CC2=C1NC3=C2C=CC(=C3)F)C)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCOC(=O)C1=CN(C(CC2=C1NC3=C2C=CC(=C3)F)C)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22F2N2O3/c1-3-10-31-24(30)20-13-28(23(29)15-4-6-16(25)7-5-15)14(2)11-19-18-9-8-17(26)12-21(18)27-22(19)20/h4-9,12-14,27H,3,10-11H2,1-2H3