(4-azanylquinazolin-2-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)OC1

InChI

InChI=1S/C19H17N3O4/c20-18-13-4-1-2-5-14(13)21-17(22-18)11-26-19(23)12-6-7-15-16(10-12)25-9-3-8-24-15/h1-2,4-7,10H,3,8-9,11H2,(H2,20,21,22)