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

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-[2-[4-(4-methoxyphenyl)piperazino]ethyl]-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C24H29N3O3 MolecularWeight: 407.50536

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-24(2)21-7-5-4-6-20(21)22(28)27(23(24)29)17-14-25-12-15-26(16-13-25)18-8-10-19(30-3)11-9-18/h4-11H,12-17H2,1-3H3