2-(4H-1,3-benzodioxin-6-yl)-5-[hexyl(methyl)amino]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(4H-1,3-benzodioxin-6-yl)-5-[hexyl(methyl)amino]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(4H-1,3-benzodioxin-6-yl)-5-[hexyl(methyl)amino]-2-isopropyl-pentanenitrile CAS Name: 2-(4H-1,3-benzodioxin-6-yl)-5-[hexyl(methyl)amino]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(4H-1,3-benzodioxin-6-yl)-5-[hexyl(methyl)amino]-2-propan-2-ylpentanenitrile Traditional Name: 2-(4H-1,3-benzodioxin-6-yl)-5-[hexyl(methyl)amino]-2-isopropyl-valeronitrile Formula: C23H36N2O2 MolecularWeight: 372.54414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)CCCC(C#N)(C1=CC2=C(C=C1)OCOC2)C(C)C

Isomeric SMILES

CCCCCCN(C)CCCC(C#N)(C1=CC2=C(C=C1)OCOC2)C(C)C

InChI

InChI=1S/C23H36N2O2/c1-5-6-7-8-13-25(4)14-9-12-23(17-24,19(2)3)21-10-11-22-20(15-21)16-26-18-27-22/h10-11,15,19H,5-9,12-14,16,18H2,1-4H3