N-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]-2-phenyl-ethanamine

Systemtic Name: N-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]-2-phenyl-ethanamine Openeye Name: N-[(6,7-dimethoxy-1-isoquinolyl)-(3,4-dimethoxyphenyl)methyl]-2-phenyl-ethanamine CAS Name: N-[(6,7-dimethoxy-1-isoquinolinyl)-(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine IUPAC Name: N-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine Traditional Name: [(6,7-dimethoxy-1-isoquinolyl)-(3,4-dimethoxyphenyl)methyl]-phenethyl-amine Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H30N2O4/c1-31-23-11-10-21(17-24(23)32-2)27(29-14-12-19-8-6-5-7-9-19)28-22-18-26(34-4)25(33-3)16-20(22)13-15-30-28/h5-11,13,15-18,27,29H,12,14H2,1-4H3