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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27N3O/c1-2-3-4-19-9-11-22(12-10-19)23(27)26-15-13-25(14-16-26)18-21-7-5-20(17-24)6-8-21/h5-12H,2-4,13-16,18H2,1H3