2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-4H-isoquinoline-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O3/c25-19-14-16-6-4-5-9-18(16)21(27)24(19)15-20(26)23-12-10-22(11-13-23)17-7-2-1-3-8-17/h1-9H,10-15H2