N-[2-[(6-chloranylpyridazin-3-yl)carbamoyl]phenyl]-1-pyridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(6-chloranylpyridazin-3-yl)carbamoyl]phenyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[2-[(6-chloropyridazin-3-yl)carbamoyl]phenyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-[[(6-chloro-3-pyridazinyl)amino]-oxomethyl]phenyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[2-[(6-chloropyridazin-3-yl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[2-[(6-chloropyridazin-3-yl)carbamoyl]phenyl]-1-(4-pyridyl)isonipecotamide Formula: C22H21ClN6O2 MolecularWeight: 436.89414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NC3=NN=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NC3=NN=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C22H21ClN6O2/c23-19-5-6-20(28-27-19)26-22(31)17-3-1-2-4-18(17)25-21(30)15-9-13-29(14-10-15)16-7-11-24-12-8-16/h1-8,11-12,15H,9-10,13-14H2,(H,25,30)(H,26,28,31)