4-[2-(1-cyclohexylpiperidin-4-yl)-1-oxidanylidene-3H-isoindol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(1-cyclohexylpiperidin-4-yl)-1-oxidanylidene-3H-isoindol-5-yl]benzenecarbonitrile Openeye Name: 4-[2-(1-cyclohexyl-4-piperidyl)-1-oxo-isoindolin-5-yl]benzonitrile CAS Name: 4-[2-(1-cyclohexyl-4-piperidinyl)-1-oxo-3H-isoindol-5-yl]benzonitrile IUPAC Name: 4-[2-(1-cyclohexylpiperidin-4-yl)-1-oxo-3H-isoindol-5-yl]benzonitrile Traditional Name: 4-[2-(1-cyclohexyl-4-piperidyl)-1-keto-isoindolin-5-yl]benzonitrile Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC(CC2)N3CC4=C(C3=O)C=CC(=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC(CC1)N2CCC(CC2)N3CC4=C(C3=O)C=CC(=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H29N3O/c27-17-19-6-8-20(9-7-19)21-10-11-25-22(16-21)18-29(26(25)30)24-12-14-28(15-13-24)23-4-2-1-3-5-23/h6-11,16,23-24H,1-5,12-15,18H2