N-(5-tert-butyl-2-oxidanyl-phenyl)-1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxamide

Systemtic Name: N-(5-tert-butyl-2-oxidanyl-phenyl)-1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxamide Openeye Name: N-(5-tert-butyl-2-hydroxy-phenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide CAS Name: N-(5-tert-butyl-2-hydroxyphenyl)-1-(6-chloro-3-pyridazinyl)-3-piperidinecarboxamide IUPAC Name: N-(5-tert-butyl-2-hydroxyphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide Traditional Name: N-(5-tert-butyl-2-hydroxy-phenyl)-1-(6-chloropyridazin-3-yl)nipecotamide Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN4O2/c1-20(2,3)14-6-7-16(26)15(11-14)22-19(27)13-5-4-10-25(12-13)18-9-8-17(21)23-24-18/h6-9,11,13,26H,4-5,10,12H2,1-3H3,(H,22,27)