[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-3-yl]-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: [4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolyl]-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-3-yl]-[4-(3-thenyl)piperazino]methanone Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)N3CCN(CC3)CC4=CSC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C(=O)N3CCN(CC3)CC4=CSC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H28N4O3S/c1-33-24-9-8-21(16-25(24)34-2)23-18-31(22-6-4-3-5-7-22)28-26(23)27(32)30-13-11-29(12-14-30)17-20-10-15-35-19-20/h3-10,15-16,18-19H,11-14,17H2,1-2H3