[2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate

Systemtic Name: [2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: [2-(2-fluorophenyl)-2-oxo-ethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate CAS Name: 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid [2-(2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-fluorophenyl)-2-oxoethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Traditional Name: 12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid [2-(2-fluorophenyl)-2-keto-ethyl] ester Formula: C22H19FN2O4 MolecularWeight: 394.395663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4F)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4F)C(=O)N2CC1

InChI

InChI=1S/C22H19FN2O4/c23-17-7-4-3-6-15(17)19(26)13-29-22(28)14-9-10-16-18(12-14)24-20-8-2-1-5-11-25(20)21(16)27/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2