1-(2-cyanocyclohexyl)-2-(isoquinolin-1-ylmethyl)cyclohexane-1-carbonitrile

Systemtic Name: 1-(2-cyanocyclohexyl)-2-(isoquinolin-1-ylmethyl)cyclohexane-1-carbonitrile Openeye Name: 1-(2-cyanocyclohexyl)-2-(1-isoquinolylmethyl)cyclohexanecarbonitrile CAS Name: 1-(2-cyanocyclohexyl)-2-(1-isoquinolinylmethyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-cyanocyclohexyl)-2-(isoquinolin-1-ylmethyl)cyclohexane-1-carbonitrile Traditional Name: 1-(2-cyanocyclohexyl)-2-(1-isoquinolylmethyl)cyclohexanecarbonitrile Formula: C24H27N3 MolecularWeight: 357.49128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C#N)C2(CCCCC2CC3=NC=CC4=CC=CC=C43)C#N

Isomeric SMILES

C1CCC(C(C1)C#N)C2(CCCCC2CC3=NC=CC4=CC=CC=C43)C#N

InChI

InChI=1S/C24H27N3/c25-16-19-8-2-4-11-22(19)24(17-26)13-6-5-9-20(24)15-23-21-10-3-1-7-18(21)12-14-27-23/h1,3,7,10,12,14,19-20,22H,2,4-6,8-9,11,13,15H2