N-(3-cyanothiophen-2-yl)-3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]propionamide Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCCN3CCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C23H24N6O2S/c1-15-20(16(2)29(27-15)18-6-4-3-5-7-18)21-22(31)25-10-12-28(21)11-8-19(30)26-23-17(14-24)9-13-32-23/h3-7,9,13,21H,8,10-12H2,1-2H3,(H,25,31)(H,26,30)