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

Systemtic Name: propan-2-yl 3-(4-fluorophenyl)carbonyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 3-(4-fluorobenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-fluorophenyl)-oxomethyl]-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-fluorobenzoyl)-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(4-fluorobenzoyl)-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C23H21FN2O3 MolecularWeight: 392.422843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN2O3/c1-14(2)29-23(28)19-13-26(22(27)15-7-9-16(24)10-8-15)12-11-18-17-5-3-4-6-20(17)25-21(18)19/h3-10,13-14,25H,11-12H2,1-2H3