2-[4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[(1-methyl-2-benzimidazolyl)methyl]-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazino]butyl]isoindoline-1,3-quinone Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN3CCN(CC3)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN3CCN(CC3)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H27N5O3/c1-27-21-10-5-4-9-20(21)26-22(27)17-28-13-15-29(16-14-28)23(31)11-6-12-30-24(32)18-7-2-3-8-19(18)25(30)33/h2-5,7-10H,6,11-17H2,1H3