ethyl 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]ethanoate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]acetate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]acetate Traditional Name: 2-[6-chloro-4-(piperonylamino)quinazolin-2-yl]acetic acid ethyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CC1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18ClN3O4/c1-2-26-19(25)9-18-23-15-5-4-13(21)8-14(15)20(24-18)22-10-12-3-6-16-17(7-12)28-11-27-16/h3-8H,2,9-11H2,1H3,(H,22,23,24)