N-[3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)propyl]cyclohexanamine

Systemtic Name: N-[3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)propyl]cyclohexanamine Openeye Name: N-[3-(6,7-dimethoxy-1-isoquinolyl)-3-(3,4-dimethoxyphenyl)propyl]cyclohexanamine CAS Name: N-[3-(6,7-dimethoxy-1-isoquinolinyl)-3-(3,4-dimethoxyphenyl)propyl]cyclohexanamine IUPAC Name: N-[3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)propyl]cyclohexanamine Traditional Name: cyclohexyl-[3-(6,7-dimethoxy-1-isoquinolyl)-3-(3,4-dimethoxyphenyl)propyl]amine Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCNC2CCCCC2)C3=NC=CC4=CC(=C(C=C43)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCNC2CCCCC2)C3=NC=CC4=CC(=C(C=C43)OC)OC)OC

InChI

InChI=1S/C28H36N2O4/c1-31-24-11-10-19(16-25(24)32-2)22(13-15-29-21-8-6-5-7-9-21)28-23-18-27(34-4)26(33-3)17-20(23)12-14-30-28/h10-12,14,16-18,21-22,29H,5-9,13,15H2,1-4H3