N-[2-[(5-chloranylpyrimidin-2-yl)carbamoyl]phenyl]-1-pyridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(5-chloranylpyrimidin-2-yl)carbamoyl]phenyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[2-[(5-chloropyrimidin-2-yl)carbamoyl]phenyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-[[(5-chloro-2-pyrimidinyl)amino]-oxomethyl]phenyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[2-[(5-chloropyrimidin-2-yl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[2-[(5-chloropyrimidin-2-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=NC=C(C=N3)Cl)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NC3=NC=C(C=N3)Cl)C4=CC=NC=C4

InChI

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