N-(2-aminophenyl)-4-[2-[1-[(4-methoxyphenyl)methylamino]cyclohexyl]ethynyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[2-[1-[(4-methoxyphenyl)methylamino]cyclohexyl]ethynyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[2-[1-[(4-methoxyphenyl)methylamino]cyclohexyl]ethynyl]benzamide CAS Name: N-(2-aminophenyl)-4-[2-[1-[(4-methoxyphenyl)methylamino]cyclohexyl]ethynyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[2-[1-[(4-methoxyphenyl)methylamino]cyclohexyl]ethynyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[2-[1-(p-anisylamino)cyclohexyl]ethynyl]benzamide Formula: C29H31N3O2 MolecularWeight: 453.57534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2(CCCCC2)C#CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

COC1=CC=C(C=C1)CNC2(CCCCC2)C#CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C29H31N3O2/c1-34-25-15-11-23(12-16-25)21-31-29(18-5-2-6-19-29)20-17-22-9-13-24(14-10-22)28(33)32-27-8-4-3-7-26(27)30/h3-4,7-16,31H,2,5-6,18-19,21,30H2,1H3,(H,32,33)