6-[4-(2-ethylbutanoyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(2-ethylbutanoyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(2-ethylbutanoyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(2-ethylbutanoyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(2-ethylbutanoyl)piperazino]nicotinonitrile Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)C#N

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)C#N

InChI

InChI=1S/C16H22N4O/c1-3-14(4-2)16(21)20-9-7-19(8-10-20)15-6-5-13(11-17)12-18-15/h5-6,12,14H,3-4,7-10H2,1-2H3