2-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazino]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3N2)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3N2)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H21N5O3/c28-20(14-27-21(29)15-5-1-2-6-16(15)22(27)30)26-11-9-25(10-12-26)13-19-23-17-7-3-4-8-18(17)24-19/h1-8H,9-14H2,(H,23,24)