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

Systemtic Name: 3-(3-methylphenyl)-2-[2-(2-phenylethynyl)phenyl]-1,1-dipropyl-guanidine Openeye Name: 3-(m-tolyl)-2-[2-(2-phenylethynyl)phenyl]-1,1-dipropyl-guanidine CAS Name: 3-(3-methylphenyl)-2-[2-(2-phenylethynyl)phenyl]-1,1-dipropylguanidine IUPAC Name: 3-(3-methylphenyl)-2-[2-(2-phenylethynyl)phenyl]-1,1-dipropylguanidine Traditional Name: 3-(m-tolyl)-2-[2-(2-phenylethynyl)phenyl]-1,1-dipropyl-guanidine Formula: C28H31N3 MolecularWeight: 409.56584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3/c1-4-20-31(21-5-2)28(29-26-16-11-12-23(3)22-26)30-27-17-10-9-15-25(27)19-18-24-13-7-6-8-14-24/h6-17,22H,4-5,20-21H2,1-3H3,(H,29,30)