4-[[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3,3-dimethylbutanoyl)piperazino]methyl]benzonitrile Formula: C18H25N3O MolecularWeight: 299.4106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O/c1-18(2,3)12-17(22)21-10-8-20(9-11-21)14-16-6-4-15(13-19)5-7-16/h4-7H,8-12,14H2,1-3H3