4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-isobutyrylpiperazino)methyl]benzonitrile Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H21N3O/c1-13(2)16(20)19-9-7-18(8-10-19)12-15-5-3-14(11-17)4-6-15/h3-6,13H,7-10,12H2,1-2H3