4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzonitrile Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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