4-[6-oxidanylidene-1-[[3-(5-piperidin-4-yloxypyrimidin-2-yl)phenyl]methyl]pyridazin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[6-oxidanylidene-1-[[3-(5-piperidin-4-yloxypyrimidin-2-yl)phenyl]methyl]pyridazin-3-yl]benzenecarbonitrile Openeye Name: 4-[6-oxo-1-[[3-[5-(4-piperidyloxy)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-yl]benzonitrile CAS Name: 4-[6-oxo-1-[[3-[5-(4-piperidinyloxy)-2-pyrimidinyl]phenyl]methyl]-3-pyridazinyl]benzonitrile IUPAC Name: 4-[6-oxo-1-[[3-(5-piperidin-4-yloxypyrimidin-2-yl)phenyl]methyl]pyridazin-3-yl]benzonitrile Traditional Name: 4-[6-keto-1-[3-[5-(4-piperidyloxy)pyrimidin-2-yl]benzyl]pyridazin-3-yl]benzonitrile Formula: C27H24N6O2 MolecularWeight: 464.51846

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=CN=C(N=C2)C3=CC(=CC=C3)CN4C(=O)C=CC(=N4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CNCCC1OC2=CN=C(N=C2)C3=CC(=CC=C3)CN4C(=O)C=CC(=N4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H24N6O2/c28-15-19-4-6-21(7-5-19)25-8-9-26(34)33(32-25)18-20-2-1-3-22(14-20)27-30-16-24(17-31-27)35-23-10-12-29-13-11-23/h1-9,14,16-17,23,29H,10-13,18H2