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

Systemtic Name: 4-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 4-[2-(4-benzylpiperazin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 4-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 4-[2-(4-benzylpiperazino)ethyl]isoindoline-1,3-quinone Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC3=C2C(=O)NC3=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC3=C2C(=O)NC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2/c25-20-18-8-4-7-17(19(18)21(26)22-20)9-10-23-11-13-24(14-12-23)15-16-5-2-1-3-6-16/h1-8H,9-15H2,(H,22,25,26)