2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]-N-(1-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]-N-(1-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]-N-[1-(2-thienyl)ethyl]acetamide CAS Name: 2-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]-N-(1-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide Traditional Name: 2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]-N-[1-(2-thienyl)ethyl]acetamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)NC(C)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CC(=O)NC(C)C4=CC=CS4

InChI

InChI=1S/C23H27N5O2S/c1-15(19-10-7-13-31-19)25-20(29)14-27-12-11-24-23(30)22(27)21-16(2)26-28(17(21)3)18-8-5-4-6-9-18/h4-10,13,15,22H,11-12,14H2,1-3H3,(H,24,30)(H,25,29)