1-[3-(4-azanyl-3-ethoxy-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-1-one

Systemtic Name: 1-[3-(4-azanyl-3-ethoxy-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-1-one Openeye Name: 1-[3-(4-amino-3-ethoxy-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-1-one CAS Name: 1-[3-(4-amino-3-ethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-propanone IUPAC Name: 1-[3-(4-amino-3-ethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-1-one Traditional Name: 1-[3-(4-amino-3-ethoxy-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-1-one Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C2=CC(=C(C=C2CC(N1)C3=CC(=C(C=C3)N)OCC)OC)OC

Isomeric SMILES

CCC(=O)C1C2=CC(=C(C=C2CC(N1)C3=CC(=C(C=C3)N)OCC)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-5-18(25)22-15-12-21(27-4)20(26-3)11-14(15)9-17(24-22)13-7-8-16(23)19(10-13)28-6-2/h7-8,10-12,17,22,24H,5-6,9,23H2,1-4H3