N-(5-chloranylpyridin-2-yl)-3-[3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoylamino]-1-benzofuran-2-carboxamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-3-[3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoylamino]-1-benzofuran-2-carboxamide Openeye Name: N-(5-chloro-2-pyridyl)-3-[3-(1-pyrimidin-4-yl-4-piperidyl)propanoylamino]benzofuran-2-carboxamide CAS Name: N-(5-chloro-2-pyridinyl)-3-[[1-oxo-3-[1-(4-pyrimidinyl)-4-piperidinyl]propyl]amino]-2-benzofurancarboxamide IUPAC Name: N-(5-chloropyridin-2-yl)-3-[3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoylamino]-1-benzofuran-2-carboxamide Traditional Name: N-(5-chloro-2-pyridyl)-3-[3-[1-(4-pyrimidyl)-4-piperidyl]propanoylamino]coumarilamide Formula: C26H25ClN6O3 MolecularWeight: 504.9681

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=NC=C(C=C4)Cl)C5=NC=NC=C5

Isomeric SMILES

C1CN(CCC1CCC(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=NC=C(C=C4)Cl)C5=NC=NC=C5

InChI

InChI=1S/C26H25ClN6O3/c27-18-6-7-21(29-15-18)31-26(35)25-24(19-3-1-2-4-20(19)36-25)32-23(34)8-5-17-10-13-33(14-11-17)22-9-12-28-16-30-22/h1-4,6-7,9,12,15-17H,5,8,10-11,13-14H2,(H,32,34)(H,29,31,35)