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

Systemtic Name: N-[[(2R)-5-chloranyl-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)ethanamide Openeye Name: N-[[(2R)-5-chloro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide CAS Name: N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2-(3,5-dimethyl-1-pyrazolyl)acetamide IUPAC Name: N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide Traditional Name: N-[[(2R)-5-chloro-7-(4-pyridyl)coumaran-2-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NCC2CC3=C(O2)C(=CC(=C3)Cl)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)Cl)C4=CC=NC=C4)C

InChI

InChI=1S/C21H21ClN4O2/c1-13-7-14(2)26(25-13)12-20(27)24-11-18-9-16-8-17(22)10-19(21(16)28-18)15-3-5-23-6-4-15/h3-8,10,18H,9,11-12H2,1-2H3,(H,24,27)/t18-/m1/s1