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

Systemtic Name: 5-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 2-benzyl-5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-benzyl-5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C27H22ClN3O4 MolecularWeight: 487.93428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H22ClN3O4/c28-21-9-6-19(7-10-21)24(32)29-12-14-30(15-13-29)25(33)20-8-11-22-23(16-20)27(35)31(26(22)34)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2