2-[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(2,6-dimethylphenyl)-1-piperazinyl]ethyl]-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-[2-[4-(2,6-dimethylphenyl)piperazino]ethyl]-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2CCN(CC2)CCN3C(=O)C4=CC=CC=C4C(C3=O)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2CCN(CC2)CCN3C(=O)C4=CC=CC=C4C(C3=O)(C)C

InChI

InChI=1S/C25H31N3O2/c1-18-8-7-9-19(2)22(18)27-15-12-26(13-16-27)14-17-28-23(29)20-10-5-6-11-21(20)25(3,4)24(28)30/h5-11H,12-17H2,1-4H3