1-(6-chloranylpyridazin-3-yl)-N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]piperidine-3-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]piperidine-3-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]piperidine-3-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]nipecotamide Formula: C21H27ClN4O3 MolecularWeight: 418.91708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(C)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl)OC)OC

InChI

InChI=1S/C21H27ClN4O3/c1-13-10-17(28-3)18(29-4)11-16(13)14(2)23-21(27)15-6-5-9-26(12-15)20-8-7-19(22)24-25-20/h7-8,10-11,14-15H,5-6,9,12H2,1-4H3,(H,23,27)