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

Systemtic Name: 2-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-benzylpiperazino)-4-keto-butyl]isoindoline-1,3-quinone Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3/c27-21(25-15-13-24(14-16-25)17-18-7-2-1-3-8-18)11-6-12-26-22(28)19-9-4-5-10-20(19)23(26)29/h1-5,7-10H,6,11-17H2