N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide

Systemtic Name: N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide Openeye Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]pent-4-enamide CAS Name: N-[[(2R)-7-chloro-5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-pentenamide IUPAC Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide Traditional Name: N-[[(2R)-7-chloro-5-(5-pyrimidyl)coumaran-2-yl]methyl]pent-4-enamide Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=CN=CN=C3)Cl

Isomeric SMILES

C=CCCC(=O)NC[C@H]1CC2=C(O1)C(=CC(=C2)C3=CN=CN=C3)Cl

InChI

InChI=1S/C18H18ClN3O2/c1-2-3-4-17(23)22-10-15-6-13-5-12(7-16(19)18(13)24-15)14-8-20-11-21-9-14/h2,5,7-9,11,15H,1,3-4,6,10H2,(H,22,23)/t15-/m1/s1