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

Systemtic Name: ethyl (Z)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]-2-methyl-prop-2-enoate Openeye Name: ethyl (Z)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]-2-methyl-prop-2-enoate CAS Name: (Z)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]-2-methyl-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]-2-methylprop-2-enoate Traditional Name: (Z)-3-[6-chloro-4-(piperonylamino)quinazolin-2-yl]-2-methyl-acrylic acid ethyl ester Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O4/c1-3-28-22(27)13(2)8-20-25-17-6-5-15(23)10-16(17)21(26-20)24-11-14-4-7-18-19(9-14)30-12-29-18/h4-10H,3,11-12H2,1-2H3,(H,24,25,26)/b13-8-