[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C24H22FN3O5 MolecularWeight: 451.446983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H22FN3O5/c25-16-10-8-15(9-11-16)23(31)28-14-4-3-7-19(24(28)32)33-21(29)13-12-20-26-18-6-2-1-5-17(18)22(30)27-20/h1-2,5-6,8-11,19H,3-4,7,12-14H2,(H,26,27,30)