N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(2-phenylethynyl)benzamide

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(2-phenylethynyl)benzamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(2-phenylethynyl)benzamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(2-phenylethynyl)benzamide Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]butyl]-4-(2-phenylethynyl)benzamide Formula: C30H33N3O2 MolecularWeight: 467.60192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C30H33N3O2/c1-35-29-12-6-5-11-28(29)33-23-21-32(22-24-33)20-8-7-19-31-30(34)27-17-15-26(16-18-27)14-13-25-9-3-2-4-10-25/h2-6,9-12,15-18H,7-8,19-24H2,1H3,(H,31,34)