3-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(4-tert-butylbenzoyl)piperazin-1-yl]propanenitrile Traditional Name: 3-[4-(4-tert-butylbenzoyl)piperazino]propionitrile Formula: C18H25N3O MolecularWeight: 299.4106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O/c1-18(2,3)16-7-5-15(6-8-16)17(22)21-13-11-20(12-14-21)10-4-9-19/h5-8H,4,10-14H2,1-3H3