2-[4-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazino]-1-piperidino-ethanone Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)CC(=O)N4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCN(CC3)CC(=O)N4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C28H33N5O3/c1-36-24-12-8-9-22(19-24)27-25(20-33(29-27)23-10-4-2-5-11-23)28(35)32-17-15-30(16-18-32)21-26(34)31-13-6-3-7-14-31/h2,4-5,8-12,19-20H,3,6-7,13-18,21H2,1H3