2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4,4-dimethyl-isoquinoline-1,3-dione

Systemtic Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-[3-[4-(2-methoxyphenyl)piperazino]propyl]-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCCN3CCN(CC3)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCCN3CCN(CC3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C25H31N3O3/c1-25(2)20-10-5-4-9-19(20)23(29)28(24(25)30)14-8-13-26-15-17-27(18-16-26)21-11-6-7-12-22(21)31-3/h4-7,9-12H,8,13-18H2,1-3H3