(1S)-N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[[(2R)-7-chloro-5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[[(2R)-7-chloro-5-(5-pyrimidyl)coumaran-2-yl]methyl]cyclohex-3-ene-1-carboxamide Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CN=CN=C4)Cl

Isomeric SMILES

C1C[C@@H](CC=C1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)C4=CN=CN=C4)Cl

InChI

InChI=1S/C20H20ClN3O2/c21-18-8-14(16-9-22-12-23-10-16)6-15-7-17(26-19(15)18)11-24-20(25)13-4-2-1-3-5-13/h1-2,6,8-10,12-13,17H,3-5,7,11H2,(H,24,25)/t13-,17-/m1/s1