4-(1,3-benzodioxol-5-ylmethylamino)-1-[2-(6-methoxyquinazolin-4-yl)ethyl]cyclohexan-1-ol

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-[2-(6-methoxyquinazolin-4-yl)ethyl]cyclohexan-1-ol Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-[2-(6-methoxyquinazolin-4-yl)ethyl]cyclohexanol CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-[2-(6-methoxy-4-quinazolinyl)ethyl]-1-cyclohexanol IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-[2-(6-methoxyquinazolin-4-yl)ethyl]cyclohexan-1-ol Traditional Name: 1-[2-(6-methoxyquinazolin-4-yl)ethyl]-4-(piperonylamino)cyclohexanol Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=CN=C2CCC3(CCC(CC3)NCC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=CN=C2CCC3(CCC(CC3)NCC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C25H29N3O4/c1-30-19-3-4-21-20(13-19)22(28-15-27-21)8-11-25(29)9-6-18(7-10-25)26-14-17-2-5-23-24(12-17)32-16-31-23/h2-5,12-13,15,18,26,29H,6-11,14,16H2,1H3