N-[[(2R)-5-chloranyl-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[[(2R)-5-chloranyl-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide Openeye Name: N-[[(2R)-5-chloro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide CAS Name: N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2-ethyl-5-methyl-3-pyrazolecarboxamide IUPAC Name: N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide Traditional Name: N-[[(2R)-5-chloro-7-(4-pyridyl)coumaran-2-yl]methyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)NCC2CC3=C(O2)C(=CC(=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C21H21ClN4O2/c1-3-26-19(8-13(2)25-26)21(27)24-12-17-10-15-9-16(22)11-18(20(15)28-17)14-4-6-23-7-5-14/h4-9,11,17H,3,10,12H2,1-2H3,(H,24,27)/t17-/m1/s1