2-[[4-[(4-iodanylphenoxy)methyl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[(4-iodanylphenoxy)methyl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(4-iodophenoxy)methyl]-1-piperidyl]methyl]benzonitrile CAS Name: 2-[[4-[(4-iodophenoxy)methyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 2-[[4-[(4-iodophenoxy)methyl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[(4-iodophenoxy)methyl]piperidino]methyl]benzonitrile Formula: C20H21IN2O MolecularWeight: 432.29801

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC=C(C=C2)I)CC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCC1COC2=CC=C(C=C2)I)CC3=CC=CC=C3C#N

InChI

InChI=1S/C20H21IN2O/c21-19-5-7-20(8-6-19)24-15-16-9-11-23(12-10-16)14-18-4-2-1-3-17(18)13-22/h1-8,16H,9-12,14-15H2