1-(6-chloranylpyridazin-3-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-[3-(tetrahydrofuran-2-ylmethoxy)phenyl]piperidine-3-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[3-(2-oxolanylmethoxy)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-[3-(tetrahydrofurfuryloxy)phenyl]nipecotamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)OCC4CCCO4

Isomeric SMILES

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)OCC4CCCO4

InChI

InChI=1S/C21H25ClN4O3/c22-19-8-9-20(25-24-19)26-10-2-4-15(13-26)21(27)23-16-5-1-6-17(12-16)29-14-18-7-3-11-28-18/h1,5-6,8-9,12,15,18H,2-4,7,10-11,13-14H2,(H,23,27)