1-butyl-5-chloranyl-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-butyl-5-chloranyl-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-methyl-pyrazole-4-carboxamide Openeye Name: 1-butyl-5-chloro-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-methyl-pyrazole-4-carboxamide CAS Name: 1-butyl-5-chloro-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-methyl-4-pyrazolecarboxamide IUPAC Name: 1-butyl-5-chloro-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-methylpyrazole-4-carboxamide Traditional Name: 1-butyl-5-chloro-N-[[(2R)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-3-methyl-pyrazole-4-carboxamide Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NCC2=C(C=C3CC(OC3=C2)C)OCC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NCC2=C(C=C3C[C@H](OC3=C2)C)OCC)Cl

InChI

InChI=1S/C21H28ClN3O3/c1-5-7-8-25-20(22)19(14(4)24-25)21(26)23-12-16-11-18-15(9-13(3)28-18)10-17(16)27-6-2/h10-11,13H,5-9,12H2,1-4H3,(H,23,26)/t13-/m1/s1