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

Systemtic Name: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(4-chlorophenyl)-1-piperazinyl]ethyl]-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-[2-[4-(4-chlorophenyl)piperazino]ethyl]-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C23H26ClN3O2 MolecularWeight: 411.92444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O2/c1-23(2)20-6-4-3-5-19(20)21(28)27(22(23)29)16-13-25-11-14-26(15-12-25)18-9-7-17(24)8-10-18/h3-10H,11-16H2,1-2H3