4-[(4-pyridin-4-ylcarbonylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-pyridin-4-ylcarbonylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-isonicotinoylpiperazino)methyl]benzonitrile Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4O/c19-13-15-1-3-16(4-2-15)14-21-9-11-22(12-10-21)18(23)17-5-7-20-8-6-17/h1-8H,9-12,14H2