(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: [5-(2-thienyl)-1H-pyrazol-3-yl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [5-(2-thienyl)-1H-pyrazol-3-yl]-[4-(2,3,4-trimethoxybenzyl)piperazino]methanone Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=NNC(=C3)C4=CC=CS4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=NNC(=C3)C4=CC=CS4)OC)OC

InChI

InChI=1S/C22H26N4O4S/c1-28-18-7-6-15(20(29-2)21(18)30-3)14-25-8-10-26(11-9-25)22(27)17-13-16(23-24-17)19-5-4-12-31-19/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,24)