4-(1-oxidanylidene-2-piperidin-4-yl-3H-isoindol-5-yl)benzenecarbonitrile

Systemtic Name: 4-(1-oxidanylidene-2-piperidin-4-yl-3H-isoindol-5-yl)benzenecarbonitrile Openeye Name: 4-[1-oxo-2-(4-piperidyl)isoindolin-5-yl]benzonitrile CAS Name: 4-[1-oxo-2-(4-piperidinyl)-3H-isoindol-5-yl]benzonitrile IUPAC Name: 4-(1-oxo-2-piperidin-4-yl-3H-isoindol-5-yl)benzonitrile Traditional Name: 4-[1-keto-2-(4-piperidyl)isoindolin-5-yl]benzonitrile Formula: C20H19N3O MolecularWeight: 317.38436

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2CC3=C(C2=O)C=CC(=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CNCCC1N2CC3=C(C2=O)C=CC(=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H19N3O/c21-12-14-1-3-15(4-2-14)16-5-6-19-17(11-16)13-23(20(19)24)18-7-9-22-10-8-18/h1-6,11,18,22H,7-10,13H2