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

Systemtic Name: methyl N-phenyl-N'-[2-(2-phenylethynyl)phenyl]carbamimidate Openeye Name: 2-methyl-1-phenyl-3-[2-(2-phenylethynyl)phenyl]isourea CAS Name: N-phenyl-N'-[2-(2-phenylethynyl)phenyl]carbamimidic acid methyl ester IUPAC Name: methyl N-phenyl-N'-[2-(2-phenylethynyl)phenyl]carbamimidate Traditional Name: 2-methyl-1-phenyl-3-[2-(2-phenylethynyl)phenyl]isourea Formula: C22H18N2O MolecularWeight: 326.39112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O/c1-25-22(23-20-13-6-3-7-14-20)24-21-15-9-8-12-19(21)17-16-18-10-4-2-5-11-18/h2-15H,1H3,(H,23,24)