N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1-pteridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1-pteridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-pteridin-4-yl-piperidine-4-carboxamide CAS Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-pteridinyl)-4-piperidinecarboxamide IUPAC Name: N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-pteridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-pteridin-4-yl-isonipecotamide Formula: C18H15ClF3N7O MolecularWeight: 437.80621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=NC=NC4=NC=CN=C43

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=NC=NC4=NC=CN=C43

InChI

InChI=1S/C18H15ClF3N7O/c19-12-7-11(18(20,21)22)8-25-14(12)28-17(30)10-1-5-29(6-2-10)16-13-15(26-9-27-16)24-4-3-23-13/h3-4,7-10H,1-2,5-6H2,(H,25,28,30)