N-(2-butoxy-5-methoxy-phenyl)-1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxamide

Systemtic Name: N-(2-butoxy-5-methoxy-phenyl)-1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxamide Openeye Name: N-(2-butoxy-5-methoxy-phenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide CAS Name: N-(2-butoxy-5-methoxyphenyl)-1-(6-chloro-3-pyridazinyl)-3-piperidinecarboxamide IUPAC Name: N-(2-butoxy-5-methoxyphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide Traditional Name: N-(2-butoxy-5-methoxy-phenyl)-1-(6-chloropyridazin-3-yl)nipecotamide Formula: C21H27ClN4O3 MolecularWeight: 418.91708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)OC)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)OC)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

InChI

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