4-[3-(4-chlorophenyl)-3-morpholin-4-yl-prop-1-ynyl]-N-(2-methylphenyl)benzamide

Systemtic Name: 4-[3-(4-chlorophenyl)-3-morpholin-4-yl-prop-1-ynyl]-N-(2-methylphenyl)benzamide Openeye Name: 4-[3-(4-chlorophenyl)-3-morpholino-prop-1-ynyl]-N-(o-tolyl)benzamide CAS Name: 4-[3-(4-chlorophenyl)-3-(4-morpholinyl)prop-1-ynyl]-N-(2-methylphenyl)benzamide IUPAC Name: 4-[3-(4-chlorophenyl)-3-morpholin-4-ylprop-1-ynyl]-N-(2-methylphenyl)benzamide Traditional Name: 4-[3-(4-chlorophenyl)-3-morpholino-prop-1-ynyl]-N-(o-tolyl)benzamide Formula: C27H25ClN2O2 MolecularWeight: 444.9526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C#CC(C3=CC=C(C=C3)Cl)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C#CC(C3=CC=C(C=C3)Cl)N4CCOCC4

InChI

InChI=1S/C27H25ClN2O2/c1-20-4-2-3-5-25(20)29-27(31)23-9-6-21(7-10-23)8-15-26(30-16-18-32-19-17-30)22-11-13-24(28)14-12-22/h2-7,9-14,26H,16-19H2,1H3,(H,29,31)