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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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