ethanedioic acid; 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-2-phenyl-3H-isoindol-1-one

Systemtic Name: ethanedioic acid; 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-2-phenyl-3H-isoindol-1-one Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-2-phenyl-isoindolin-1-one; oxalic acid CAS Name: oxalic acid; 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2-phenyl-3H-isoindol-1-one IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-3H-isoindol-1-one; oxalic acid Traditional Name: 3-[2-(4-benzylpiperazino)-2-keto-ethyl]-2-phenyl-isoindolin-1-one; oxalic acid Formula: C29H29N3O6 MolecularWeight: 515.55706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H27N3O2.C2H2O4/c31-26(29-17-15-28(16-18-29)20-21-9-3-1-4-10-21)19-25-23-13-7-8-14-24(23)27(32)30(25)22-11-5-2-6-12-22;3-1(4)2(5)6/h1-14,25H,15-20H2;(H,3,4)(H,5,6)