4-[[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-tert-butylbenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-tert-butylbenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-tert-butylbenzoyl)piperazino]methyl]benzonitrile Formula: C23H27N3O MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27N3O/c1-23(2,3)21-10-8-20(9-11-21)22(27)26-14-12-25(13-15-26)17-19-6-4-18(16-24)5-7-19/h4-11H,12-15,17H2,1-3H3