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

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloranyl-quinazolin-2-yl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-quinazolin-2-yl]cyclohexanecarboxylate CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloro-2-quinazolinyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-chloroquinazolin-2-yl]cyclohexane-1-carboxylate Traditional Name: 4-[6-chloro-4-(piperonylamino)quinazolin-2-yl]cyclohexanecarboxylic acid ethyl ester Formula: C25H26ClN3O4 MolecularWeight: 467.94464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26ClN3O4/c1-2-31-25(30)17-6-4-16(5-7-17)23-28-20-9-8-18(26)12-19(20)24(29-23)27-13-15-3-10-21-22(11-15)33-14-32-21/h3,8-12,16-17H,2,4-7,13-14H2,1H3,(H,27,28,29)