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

Systemtic Name: ethyl N-(4-chlorophenyl)-N'-[2-(2-phenylethynyl)phenyl]carbamimidate Openeye Name: 1-(4-chlorophenyl)-2-ethyl-3-[2-(2-phenylethynyl)phenyl]isourea CAS Name: N-(4-chlorophenyl)-N'-[2-(2-phenylethynyl)phenyl]carbamimidic acid ethyl ester IUPAC Name: ethyl N-(4-chlorophenyl)-N'-[2-(2-phenylethynyl)phenyl]carbamimidate Traditional Name: 1-(4-chlorophenyl)-2-ethyl-3-[2-(2-phenylethynyl)phenyl]isourea Formula: C23H19ClN2O MolecularWeight: 374.86276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN2O/c1-2-27-23(25-21-16-14-20(24)15-17-21)26-22-11-7-6-10-19(22)13-12-18-8-4-3-5-9-18/h3-11,14-17H,2H2,1H3,(H,25,26)