3-(4-chlorophenyl)-2-[2-(2-phenylethynyl)phenyl]-1,1-dipropyl-guanidine

Systemtic Name: 3-(4-chlorophenyl)-2-[2-(2-phenylethynyl)phenyl]-1,1-dipropyl-guanidine Openeye Name: 3-(4-chlorophenyl)-2-[2-(2-phenylethynyl)phenyl]-1,1-dipropyl-guanidine CAS Name: 3-(4-chlorophenyl)-2-[2-(2-phenylethynyl)phenyl]-1,1-dipropylguanidine IUPAC Name: 3-(4-chlorophenyl)-2-[2-(2-phenylethynyl)phenyl]-1,1-dipropylguanidine Traditional Name: 3-(4-chlorophenyl)-2-[2-(2-phenylethynyl)phenyl]-1,1-dipropyl-guanidine Formula: C27H28ClN3 MolecularWeight: 429.98432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN3/c1-3-20-31(21-4-2)27(29-25-18-16-24(28)17-19-25)30-26-13-9-8-12-23(26)15-14-22-10-6-5-7-11-22/h5-13,16-19H,3-4,20-21H2,1-2H3,(H,29,30)