1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C20H17ClN2O5/c1-11(18-22-15-6-3-2-5-13(15)19(24)23-18)28-20(25)12-9-14(21)17-16(10-12)26-7-4-8-27-17/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,22,23,24)