3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[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=CC(=C3)C#N

Isomeric SMILES

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

InChI

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