(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H19ClN2O5/c1-12-4-2-5-14-19(12)23-17(24-21(14)26)11-29-18(25)10-13-8-15(22)20-16(9-13)27-6-3-7-28-20/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,23,24,26)