2-[4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazino]-1-(2-thienyl)ethanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)CC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)CC(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O3S/c1-28-16-5-2-4-15(12-16)17-13-18(23-22-17)21(27)25-9-7-24(8-10-25)14-19(26)20-6-3-11-29-20/h2-6,11-13H,7-10,14H2,1H3,(H,22,23)