[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(2-phenylethynyl)phenyl]methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(2-phenylethynyl)phenyl]methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(2-phenylethynyl)phenyl]methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-[4-(2-phenylethynyl)phenyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(2-phenylethynyl)phenyl]methanone Traditional Name: (4-p-anisylpiperazino)-[4-(2-phenylethynyl)phenyl]methanone Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2/c1-31-26-15-11-24(12-16-26)21-28-17-19-29(20-18-28)27(30)25-13-9-23(10-14-25)8-7-22-5-3-2-4-6-22/h2-6,9-16H,17-21H2,1H3