2-[4-(3,4-dimethoxyphenyl)-1,2,3-triazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)-1,2,3-triazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(3,4-dimethoxyphenyl)triazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-(3,4-dimethoxyphenyl)-1-triazolyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)triazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(3,4-dimethoxyphenyl)triazol-1-yl]-1-(4-phenylpiperazino)ethanone Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H25N5O3/c1-29-20-9-8-17(14-21(20)30-2)19-15-27(24-23-19)16-22(28)26-12-10-25(11-13-26)18-6-4-3-5-7-18/h3-9,14-15H,10-13,16H2,1-2H3