2-[4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[2-(4-keto-3H-phthalazin-1-yl)acetyl]piperazino]isonicotinonitrile Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H18N6O2/c21-13-14-5-6-22-18(11-14)25-7-9-26(10-8-25)19(27)12-17-15-3-1-2-4-16(15)20(28)24-23-17/h1-6,11H,7-10,12H2,(H,24,28)