5-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-2-phenethyl-isoindole-1,3-dione

Systemtic Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-2-phenethyl-isoindole-1,3-dione Openeye Name: 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-phenethyl-isoindoline-1,3-dione CAS Name: 5-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-phenethylisoindole-1,3-dione IUPAC Name: 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-phenethylisoindole-1,3-dione Traditional Name: 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-phenethyl-isoindoline-1,3-quinone Formula: C27H24ClN3O3 MolecularWeight: 473.95076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H24ClN3O3/c28-23-8-4-5-9-24(23)29-14-16-30(17-15-29)25(32)20-10-11-21-22(18-20)27(34)31(26(21)33)13-12-19-6-2-1-3-7-19/h1-11,18H,12-17H2