N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-(6-chloranylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-1-(6-chloro-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-(4-methyl-5-piperonyl-thiazol-2-yl)isonipecotamide Formula: C22H22ClN5O3S MolecularWeight: 471.95978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22ClN5O3S/c1-13-18(11-14-2-3-16-17(10-14)31-12-30-16)32-22(24-13)25-21(29)15-6-8-28(9-7-15)20-5-4-19(23)26-27-20/h2-5,10,15H,6-9,11-12H2,1H3,(H,24,25,29)