2-methyl-1-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]propan-1-one Openeye Name: 1-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 2-methyl-1-[4-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazino]-2-methyl-propan-1-one Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c1-17(2)22(28)25-10-12-26(13-11-25)23(29)19-16-27(15-18-7-4-3-5-8-18)24-21(19)20-9-6-14-30-20/h3-9,14,16-17H,10-13,15H2,1-2H3