2-[2-oxidanylidene-1-[3-(3-piperidin-1-ylpropoxy)phenyl]-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[2-oxidanylidene-1-[3-(3-piperidin-1-ylpropoxy)phenyl]-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[2-oxo-1-[3-[3-(1-piperidyl)propoxy]phenyl]-5-(2-pyridyl)-3-pyridyl]benzonitrile CAS Name: 2-[2-oxo-1-[3-[3-(1-piperidinyl)propoxy]phenyl]-5-(2-pyridinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[2-oxo-1-[3-(3-piperidin-1-ylpropoxy)phenyl]-5-pyridin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[2-keto-1-[3-(3-piperidinopropoxy)phenyl]-5-(2-pyridyl)-3-pyridyl]benzonitrile Formula: C31H30N4O2 MolecularWeight: 490.5955

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=CC(=C2)N3C=C(C=C(C3=O)C4=CC=CC=C4C#N)C5=CC=CC=N5

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=CC(=C2)N3C=C(C=C(C3=O)C4=CC=CC=C4C#N)C5=CC=CC=N5

InChI

InChI=1S/C31H30N4O2/c32-22-24-10-2-3-13-28(24)29-20-25(30-14-4-5-15-33-30)23-35(31(29)36)26-11-8-12-27(21-26)37-19-9-18-34-16-6-1-7-17-34/h2-5,8,10-15,20-21,23H,1,6-7,9,16-19H2