3-[4-(2-methylpropanoyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2-methylpropanoyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-(4-isobutyrylpiperazine-1-carbonyl)benzonitrile Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2/c1-12(2)15(20)18-6-8-19(9-7-18)16(21)14-5-3-4-13(10-14)11-17/h3-5,10,12H,6-9H2,1-2H3