N-(3-methylphenyl)-N'-[4-methyl-2-(2-phenylethynyl)phenyl]piperidine-1-carboximidamide

Systemtic Name: N-(3-methylphenyl)-N'-[4-methyl-2-(2-phenylethynyl)phenyl]piperidine-1-carboximidamide Openeye Name: N'-[4-methyl-2-(2-phenylethynyl)phenyl]-N-(m-tolyl)piperidine-1-carboxamidine CAS Name: N-(3-methylphenyl)-N'-[4-methyl-2-(2-phenylethynyl)phenyl]-1-piperidinecarboximidamide IUPAC Name: N-(3-methylphenyl)-N'-[4-methyl-2-(2-phenylethynyl)phenyl]piperidine-1-carboximidamide Traditional Name: N'-[4-methyl-2-(2-phenylethynyl)phenyl]-N-(m-tolyl)piperidine-1-carboxamidine Formula: C28H29N3 MolecularWeight: 407.54996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=NC2=C(C=C(C=C2)C)C#CC3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=NC2=C(C=C(C=C2)C)C#CC3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C28H29N3/c1-22-10-9-13-26(21-22)29-28(31-18-7-4-8-19-31)30-27-17-14-23(2)20-25(27)16-15-24-11-5-3-6-12-24/h3,5-6,9-14,17,20-21H,4,7-8,18-19H2,1-2H3,(H,29,30)