N-[3-chloranyl-4-(pyridin-3-ylmethoxy)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[3-chloranyl-4-(pyridin-3-ylmethoxy)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-[3-chloro-4-(3-pyridylmethoxy)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-[3-chloro-4-(3-pyridinylmethoxy)phenyl]-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-[3-chloro-4-(3-pyridylmethoxy)phenyl]-1-(2-pyrimidyl)isonipecotamide Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)OCC3=CN=CC=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)OCC3=CN=CC=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C22H22ClN5O2/c23-19-13-18(4-5-20(19)30-15-16-3-1-8-24-14-16)27-21(29)17-6-11-28(12-7-17)22-25-9-2-10-26-22/h1-5,8-10,13-14,17H,6-7,11-12,15H2,(H,27,29)