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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-1-yl]ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-keto-2-[4-(4-pyridylmethyl)piperazino]ethyl]-4H-isoquinoline-1,3-quinone Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N4O3/c26-19-13-17-3-1-2-4-18(17)21(28)25(19)15-20(27)24-11-9-23(10-12-24)14-16-5-7-22-8-6-16/h1-8H,9-15H2