(2S)-1-but-2-ynoyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide

Systemtic Name: (2S)-1-but-2-ynoyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide Openeye Name: (2S)-1-but-2-ynoyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide CAS Name: (2S)-N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(1-oxobut-2-ynyl)-2-piperidinecarboxamide IUPAC Name: (2S)-1-but-2-ynoyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide Traditional Name: (2S)-1-but-2-ynoyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pipecolinamide Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCCCC1C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CC#CC(=O)N1CCCC[C@H]1C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C21H24N4O2/c1-4-7-20(26)24-13-6-5-8-19(24)21(27)22-17-9-11-18(12-10-17)25-16(3)14-15(2)23-25/h9-12,14,19H,5-6,8,13H2,1-3H3,(H,22,27)/t19-/m0/s1