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

Systemtic Name: (2-fluorophenyl) 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: (2-fluorophenyl) 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-fluorophenyl) ester IUPAC Name: (2-fluorophenyl) 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-fluorophenyl) ester Formula: C20H17FN2O3 MolecularWeight: 352.358983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC=C4F)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC=C4F)C(=O)N2CC1

InChI

InChI=1S/C20H17FN2O3/c21-15-6-3-4-7-17(15)26-20(25)13-9-10-14-16(12-13)22-18-8-2-1-5-11-23(18)19(14)24/h3-4,6-7,9-10,12H,1-2,5,8,11H2