N-[[(2R)-5-chloranyl-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[(2R)-5-chloranyl-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-benzamide Openeye Name: N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]-3,5-dimethyl-benzamide CAS Name: N-[[(2R)-5-chloro-7-(2-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3,5-dimethylbenzamide IUPAC Name: N-[[(2R)-5-chloro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethylbenzamide Traditional Name: N-[[(2R)-5-chloro-7-(2-pyrimidyl)coumaran-2-yl]methyl]-3,5-dimethyl-benzamide Formula: C22H20ClN3O2 MolecularWeight: 393.8661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)Cl)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)Cl)C4=NC=CC=N4)C

InChI

InChI=1S/C22H20ClN3O2/c1-13-6-14(2)8-16(7-13)22(27)26-12-18-10-15-9-17(23)11-19(20(15)28-18)21-24-4-3-5-25-21/h3-9,11,18H,10,12H2,1-2H3,(H,26,27)/t18-/m1/s1