4-[4-methyl-5-(4-methylpiperazin-1-yl)-3-(2-phenylethynyl)thiophen-2-yl]morpholine

Systemtic Name: 4-[4-methyl-5-(4-methylpiperazin-1-yl)-3-(2-phenylethynyl)thiophen-2-yl]morpholine Openeye Name: 4-[4-methyl-5-(4-methylpiperazin-1-yl)-3-(2-phenylethynyl)-2-thienyl]morpholine CAS Name: 4-[4-methyl-5-(4-methyl-1-piperazinyl)-3-(2-phenylethynyl)-2-thiophenyl]morpholine IUPAC Name: 4-[4-methyl-5-(4-methylpiperazin-1-yl)-3-(2-phenylethynyl)thiophen-2-yl]morpholine Traditional Name: 4-[4-methyl-5-(4-methylpiperazino)-3-(2-phenylethynyl)-2-thienyl]morpholine Formula: C22H27N3OS MolecularWeight: 381.53428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#CC2=CC=CC=C2)N3CCOCC3)N4CCN(CC4)C

Isomeric SMILES

CC1=C(SC(=C1C#CC2=CC=CC=C2)N3CCOCC3)N4CCN(CC4)C

InChI

InChI=1S/C22H27N3OS/c1-18-20(9-8-19-6-4-3-5-7-19)22(25-14-16-26-17-15-25)27-21(18)24-12-10-23(2)11-13-24/h3-7H,10-17H2,1-2H3