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

Systemtic Name: ethyl (E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]prop-2-enoate CAS Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]prop-2-enoate Traditional Name: (E)-3-[6-chloro-4-(piperonylamino)quinazolin-2-yl]acrylic acid ethyl ester Formula: C21H18ClN3O4 MolecularWeight: 411.83832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C/C1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18ClN3O4/c1-2-27-20(26)8-7-19-24-16-5-4-14(22)10-15(16)21(25-19)23-11-13-3-6-17-18(9-13)29-12-28-17/h3-10H,2,11-12H2,1H3,(H,23,24,25)/b8-7+