2-[4-[3-(5-cyanopyridin-3-yl)prop-2-ynylidene]piperidin-1-yl]-4-methoxy-pyridine-3-carbonitrile

Systemtic Name: 2-[4-[3-(5-cyanopyridin-3-yl)prop-2-ynylidene]piperidin-1-yl]-4-methoxy-pyridine-3-carbonitrile Openeye Name: 2-[4-[3-(5-cyano-3-pyridyl)prop-2-ynylidene]-1-piperidyl]-4-methoxy-pyridine-3-carbonitrile CAS Name: 2-[4-[3-(5-cyano-3-pyridinyl)prop-2-ynylidene]-1-piperidinyl]-4-methoxy-3-pyridinecarbonitrile IUPAC Name: 2-[4-[3-(5-cyanopyridin-3-yl)prop-2-ynylidene]piperidin-1-yl]-4-methoxypyridine-3-carbonitrile Traditional Name: 2-[4-[3-(5-cyano-3-pyridyl)prop-2-ynylidene]piperidino]-4-methoxy-nicotinonitrile Formula: C21H17N5O MolecularWeight: 355.39258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)N2CCC(=CC#CC3=CC(=CN=C3)C#N)CC2)C#N

Isomeric SMILES

COC1=C(C(=NC=C1)N2CCC(=CC#CC3=CC(=CN=C3)C#N)CC2)C#N

InChI

InChI=1S/C21H17N5O/c1-27-20-5-8-25-21(19(20)13-23)26-9-6-16(7-10-26)3-2-4-17-11-18(12-22)15-24-14-17/h3,5,8,11,14-15H,6-7,9-10H2,1H3