methyl N'-[4-methyl-2-(2-phenylethynyl)phenyl]-N-phenyl-carbamimidate

Systemtic Name: methyl N'-[4-methyl-2-(2-phenylethynyl)phenyl]-N-phenyl-carbamimidate Openeye Name: 2-methyl-3-[4-methyl-2-(2-phenylethynyl)phenyl]-1-phenyl-isourea CAS Name: N'-[4-methyl-2-(2-phenylethynyl)phenyl]-N-phenylcarbamimidic acid methyl ester IUPAC Name: methyl N'-[4-methyl-2-(2-phenylethynyl)phenyl]-N-phenylcarbamimidate Traditional Name: 2-methyl-3-[4-methyl-2-(2-phenylethynyl)phenyl]-1-phenyl-isourea Formula: C23H20N2O MolecularWeight: 340.4177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=C(NC2=CC=CC=C2)OC)C#CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)N=C(NC2=CC=CC=C2)OC)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O/c1-18-13-16-22(20(17-18)15-14-19-9-5-3-6-10-19)25-23(26-2)24-21-11-7-4-8-12-21/h3-13,16-17H,1-2H3,(H,24,25)