2-(1H-imidazol-2-ylmethyl)-2-(4-iodophenyl)octanenitrile

Systemtic Name: 2-(1H-imidazol-2-ylmethyl)-2-(4-iodophenyl)octanenitrile Openeye Name: 2-(1H-imidazol-2-ylmethyl)-2-(4-iodophenyl)octanenitrile CAS Name: 2-(1H-imidazol-2-ylmethyl)-2-(4-iodophenyl)octanenitrile IUPAC Name: 2-(1H-imidazol-2-ylmethyl)-2-(4-iodophenyl)octanenitrile Traditional Name: 2-(1H-imidazol-2-ylmethyl)-2-(4-iodophenyl)caprylonitrile Formula: C18H22IN3 MolecularWeight: 407.29185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1=NC=CN1)(C#N)C2=CC=C(C=C2)I

Isomeric SMILES

CCCCCCC(CC1=NC=CN1)(C#N)C2=CC=C(C=C2)I

InChI

InChI=1S/C18H22IN3/c1-2-3-4-5-10-18(14-20,13-17-21-11-12-22-17)15-6-8-16(19)9-7-15/h6-9,11-12H,2-5,10,13H2,1H3,(H,21,22)