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

Systemtic Name: methyl N-(4-chlorophenyl)-N'-[2-(2-phenylethynyl)phenyl]carbamimidate Openeye Name: 1-(4-chlorophenyl)-2-methyl-3-[2-(2-phenylethynyl)phenyl]isourea CAS Name: N-(4-chlorophenyl)-N'-[2-(2-phenylethynyl)phenyl]carbamimidic acid methyl ester IUPAC Name: methyl N-(4-chlorophenyl)-N'-[2-(2-phenylethynyl)phenyl]carbamimidate Traditional Name: 1-(4-chlorophenyl)-2-methyl-3-[2-(2-phenylethynyl)phenyl]isourea Formula: C22H17ClN2O MolecularWeight: 360.83618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=NC1=CC=CC=C1C#CC2=CC=CC=C2)NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=NC1=CC=CC=C1C#CC2=CC=CC=C2)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H17ClN2O/c1-26-22(24-20-15-13-19(23)14-16-20)25-21-10-6-5-9-18(21)12-11-17-7-3-2-4-8-17/h2-10,13-16H,1H3,(H,24,25)