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

Systemtic Name: N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-benzamide CAS Name: N-[[(2R)-7-chloro-5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylbenzamide Traditional Name: N-[[(2R)-7-chloro-5-(5-pyrimidyl)coumaran-2-yl]methyl]-3-methyl-benzamide Formula: C21H18ClN3O2 MolecularWeight: 379.83952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O2/c1-13-3-2-4-14(5-13)21(26)25-11-18-7-16-6-15(8-19(22)20(16)27-18)17-9-23-12-24-10-17/h2-6,8-10,12,18H,7,11H2,1H3,(H,25,26)/t18-/m1/s1