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

Systemtic Name: 4-[[4-(3-cyclohexylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-cyclohexylpropanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(3-cyclohexyl-1-oxopropyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-cyclohexylpropanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-cyclohexylpropanoyl)piperazino]methyl]benzonitrile Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(CC1)CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H29N3O/c22-16-19-6-8-20(9-7-19)17-23-12-14-24(15-13-23)21(25)11-10-18-4-2-1-3-5-18/h6-9,18H,1-5,10-15,17H2