N-[[5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

Systemtic Name: N-[[5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide Openeye Name: N-[[5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide CAS Name: N-[[5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide IUPAC Name: N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide Traditional Name: N-[[5-(2-acetylphenyl)coumaran-2-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=CC=CC=C4C(=O)C

Isomeric SMILES

CC1=CC(=NN1)C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=CC=CC=C4C(=O)C

InChI

InChI=1S/C22H21N3O3/c1-13-9-20(25-24-13)22(27)23-12-17-11-16-10-15(7-8-21(16)28-17)19-6-4-3-5-18(19)14(2)26/h3-10,17H,11-12H2,1-2H3,(H,23,27)(H,24,25)