2-[4-[2-(5-butoxypyridin-2-yl)ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[2-(5-butoxypyridin-2-yl)ethanoyl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-(5-butoxy-2-pyridyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-(5-butoxy-2-pyridinyl)-1-oxoethyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(5-butoxypyridin-2-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-(5-butoxy-2-pyridyl)acetyl]piperazino]nicotinonitrile Formula: C21H25N5O2 MolecularWeight: 379.4555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(C=C1)CC(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

CCCCOC1=CN=C(C=C1)CC(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C21H25N5O2/c1-2-3-13-28-19-7-6-18(24-16-19)14-20(27)25-9-11-26(12-10-25)21-17(15-22)5-4-8-23-21/h4-8,16H,2-3,9-14H2,1H3