2-[4-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[3-(2-keto-3H-benzimidazol-1-yl)propyl]piperazino]isonicotinonitrile Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4=NC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C20H22N6O/c21-15-16-6-7-22-19(14-16)25-12-10-24(11-13-25)8-3-9-26-18-5-2-1-4-17(18)23-20(26)27/h1-2,4-7,14H,3,8-13H2,(H,23,27)