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

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-[3-[homoveratryl(methyl)amino]propyl]-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCCN(C)CCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCCN(C)CCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C25H32N2O4/c1-25(2)20-10-7-6-9-19(20)23(28)27(24(25)29)15-8-14-26(3)16-13-18-11-12-21(30-4)22(17-18)31-5/h6-7,9-12,17H,8,13-16H2,1-5H3