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

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) 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 (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 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 (4-bromo-2-chloro-phenyl) ester Formula: C20H16BrClN2O3 MolecularWeight: 447.70964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=C(C=C(C=C4)Br)Cl)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=C(C=C(C=C4)Br)Cl)C(=O)N2CC1

InChI

InChI=1S/C20H16BrClN2O3/c21-13-6-8-17(15(22)11-13)27-20(26)12-5-7-14-16(10-12)23-18-4-2-1-3-9-24(18)19(14)25/h5-8,10-11H,1-4,9H2