2-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(3-chlorobenzoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(3-chlorobenzoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(3-chlorobenzoyl)piperazino]isonicotinonitrile Formula: C17H15ClN4O MolecularWeight: 326.7802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H15ClN4O/c18-15-3-1-2-14(11-15)17(23)22-8-6-21(7-9-22)16-10-13(12-19)4-5-20-16/h1-5,10-11H,6-9H2