2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(3,3-dimethylbutanoyl)piperazino]isonicotinonitrile Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O/c1-16(2,3)11-15(21)20-8-6-19(7-9-20)14-10-13(12-17)4-5-18-14/h4-5,10H,6-9,11H2,1-3H3