2-(2-oxidanylidene-2-piperazin-1-yl-ethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(2-oxidanylidene-2-piperazin-1-yl-ethyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(2-oxo-2-piperazin-1-yl-ethyl)-4H-isoquinoline-1,3-dione CAS Name: 2-[2-oxo-2-(1-piperazinyl)ethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-(2-oxo-2-piperazin-1-ylethyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(2-keto-2-piperazino-ethyl)-4H-isoquinoline-1,3-quinone Formula: C15H17N3O3 MolecularWeight: 287.31378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)CN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

C1CN(CCN1)C(=O)CN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C15H17N3O3/c19-13-9-11-3-1-2-4-12(11)15(21)18(13)10-14(20)17-7-5-16-6-8-17/h1-4,16H,5-10H2