N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(1-but-2-ynoyl-4-piperidyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-(1-oxobut-2-ynyl)-4-piperidinyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(1-but-2-ynoyl-4-piperidyl)pyrazol-3-yl]-piperonylamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC#CC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O4/c1-2-3-19(25)23-10-7-15(8-11-23)24-18(6-9-21-24)22-20(26)14-4-5-16-17(12-14)28-13-27-16/h4-6,9,12,15H,7-8,10-11,13H2,1H3,(H,22,26)