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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

InChI

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