2-[2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(3,4-dimethoxyphenyl)-1-piperazinyl]ethyl]-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-[2-[4-(3,4-dimethoxyphenyl)piperazino]ethyl]-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCN3CCN(CC3)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCN3CCN(CC3)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C25H31N3O4/c1-25(2)20-8-6-5-7-19(20)23(29)28(24(25)30)16-13-26-11-14-27(15-12-26)18-9-10-21(31-3)22(17-18)32-4/h5-10,17H,11-16H2,1-4H3