N-[[7-(5-ethanoylthiophen-2-yl)-5-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide

Systemtic Name: N-[[7-(5-ethanoylthiophen-2-yl)-5-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide Openeye Name: N-[[7-(5-acetyl-2-thienyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide CAS Name: N-[[7-(5-acetyl-2-thiophenyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-3-(3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide Traditional Name: N-[[7-(5-acetyl-2-thienyl)-5-fluoro-coumaran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propionamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=CC=C(S4)C(=O)C

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=CC=C(S4)C(=O)C

InChI

InChI=1S/C22H22FN3O3S/c1-13-5-7-26(25-13)8-6-21(28)24-12-17-10-15-9-16(23)11-18(22(15)29-17)20-4-3-19(30-20)14(2)27/h3-5,7,9,11,17H,6,8,10,12H2,1-2H3,(H,24,28)