2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7-methoxy-4,4-dimethyl-isoquinoline-1,3-dione

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7-methoxy-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-7-methoxy-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7-methoxy-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7-methoxy-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-[3-[homoveratryl(methyl)amino]propyl]-7-methoxy-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCCN(C)CCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCCN(C)CCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C26H34N2O5/c1-26(2)21-10-9-19(31-4)17-20(21)24(29)28(25(26)30)14-7-13-27(3)15-12-18-8-11-22(32-5)23(16-18)33-6/h8-11,16-17H,7,12-15H2,1-6H3