2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]isoindoline-1,3-quinone Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O3/c1-15(24-20(26)17-9-5-6-10-18(17)21(24)27)19(25)23-13-11-22(12-14-23)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3