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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C21H24N4O2/c1-4-5-20(26)24-12-10-17(11-13-24)21(27)22-18-6-8-19(9-7-18)25-16(3)14-15(2)23-25/h6-9,14,17H,10-13H2,1-3H3,(H,22,27)