6,7-dimethoxy-1-(phenylmethyl)isoquinoline; 3-ethyl-6,7-dimethoxy-1-(phenylmethyl)isoquinoline

Systemtic Name: 6,7-dimethoxy-1-(phenylmethyl)isoquinoline; 3-ethyl-6,7-dimethoxy-1-(phenylmethyl)isoquinoline Openeye Name: 1-benzyl-6,7-dimethoxy-isoquinoline; 1-benzyl-3-ethyl-6,7-dimethoxy-isoquinoline CAS Name: 6,7-dimethoxy-1-(phenylmethyl)isoquinoline; 3-ethyl-6,7-dimethoxy-1-(phenylmethyl)isoquinoline IUPAC Name: 1-benzyl-6,7-dimethoxyisoquinoline; 1-benzyl-3-ethyl-6,7-dimethoxyisoquinoline Traditional Name: 1-benzyl-6,7-dimethoxy-isoquinoline; 1-benzyl-3-ethyl-6,7-dimethoxy-isoquinoline Formula: C38H38N2O4 MolecularWeight: 586.71932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C(C=C2C(=N1)CC3=CC=CC=C3)OC)OC.COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=CC=C3)OC

Isomeric SMILES

CCC1=CC2=CC(=C(C=C2C(=N1)CC3=CC=CC=C3)OC)OC.COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H21NO2.C18H17NO2/c1-4-16-11-15-12-19(22-2)20(23-3)13-17(15)18(21-16)10-14-8-6-5-7-9-14;1-20-17-11-14-8-9-19-16(15(14)12-18(17)21-2)10-13-6-4-3-5-7-13/h5-9,11-13H,4,10H2,1-3H3;3-9,11-12H,10H2,1-2H3