N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(6-methoxyquinolin-4-yl)ethyl]cyclohexan-1-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(6-methoxyquinolin-4-yl)ethyl]cyclohexan-1-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(6-methoxy-4-quinolyl)ethyl]cyclohexanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(6-methoxy-4-quinolinyl)ethyl]-1-cyclohexanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(6-methoxyquinolin-4-yl)ethyl]cyclohexan-1-amine Traditional Name: [4-[2-(6-methoxy-4-quinolyl)ethyl]cyclohexyl]-piperonyl-amine Formula: C26H30N2O3 MolecularWeight: 418.528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCC3CCC(CC3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCC3CCC(CC3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30N2O3/c1-29-22-9-10-24-23(15-22)20(12-13-27-24)6-2-18-3-7-21(8-4-18)28-16-19-5-11-25-26(14-19)31-17-30-25/h5,9-15,18,21,28H,2-4,6-8,16-17H2,1H3