4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-(4-isovalerylpiperazine-1-carbonyl)benzonitrile Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2/c1-13(2)11-16(21)19-7-9-20(10-8-19)17(22)15-5-3-14(12-18)4-6-15/h3-6,13H,7-11H2,1-2H3