2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]acetonitrile Traditional Name: 2-[4-(4-tert-butylbenzoyl)piperazino]acetonitrile Formula: C17H23N3O MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC#N

InChI

InChI=1S/C17H23N3O/c1-17(2,3)15-6-4-14(5-7-15)16(21)20-12-10-19(9-8-18)11-13-20/h4-7H,9-13H2,1-3H3