1-(2-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodanylphenyl)-1-methyl-guanidine

Systemtic Name: 1-(2-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodanylphenyl)-1-methyl-guanidine Openeye Name: 1-(2-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodophenyl)-1-methyl-guanidine CAS Name: 1-(2-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodophenyl)-1-methylguanidine IUPAC Name: 1-(2-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodophenyl)-1-methylguanidine Traditional Name: 1-(2-cyanoethyl)-2-homoveratryl-3-(2-iodophenyl)-1-methyl-guanidine Formula: C21H25IN4O2 MolecularWeight: 492.35327

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=NCCC1=CC(=C(C=C1)OC)OC)NC2=CC=CC=C2I

Isomeric SMILES

CN(CCC#N)C(=NCCC1=CC(=C(C=C1)OC)OC)NC2=CC=CC=C2I

InChI

InChI=1S/C21H25IN4O2/c1-26(14-6-12-23)21(25-18-8-5-4-7-17(18)22)24-13-11-16-9-10-19(27-2)20(15-16)28-3/h4-5,7-10,15H,6,11,13-14H2,1-3H3,(H,24,25)