[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C25H21FN2O6 MolecularWeight: 464.442443

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O6/c1-2-12-27-22(30)18-11-8-16(14-19(18)23(27)31)25(33)34-20-5-3-4-13-28(24(20)32)21(29)15-6-9-17(26)10-7-15/h2,6-11,14,20H,1,3-5,12-13H2