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

Systemtic Name: 2-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazino]-4-keto-butyl]isoindoline-1,3-quinone Formula: C24H25N5O3 MolecularWeight: 431.487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3N2)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3N2)C(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H25N5O3/c30-22(10-5-11-29-23(31)17-6-1-2-7-18(17)24(29)32)28-14-12-27(13-15-28)16-21-25-19-8-3-4-9-20(19)26-21/h1-4,6-9H,5,10-16H2,(H,25,26)