[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-[(4-fluorophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 4-(4-fluorobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C29H29FN2O3 MolecularWeight: 472.550563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C3CCCC(=CC4=CC=C(C=C4)F)C3=NC5=CC=CC=C52

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C3CCCC(=CC4=CC=C(C=C4)F)C3=NC5=CC=CC=C52

InChI

InChI=1S/C29H29FN2O3/c30-22-14-12-20(13-15-22)18-21-8-7-10-24-27(23-9-3-4-11-25(23)31-28(21)24)29(34)35-19-26(33)32-16-5-1-2-6-17-32/h3-4,9,11-15,18H,1-2,5-8,10,16-17,19H2