N-[[5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyrazol-1-yl-benzamide

Systemtic Name: N-[[5-(2-ethanoylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyrazol-1-yl-benzamide Openeye Name: N-[[5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-pyrazol-1-yl-benzamide CAS Name: N-[[5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(1-pyrazolyl)benzamide IUPAC Name: N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-pyrazol-1-ylbenzamide Traditional Name: N-[[5-(2-acetylphenyl)coumaran-2-yl]methyl]-3-pyrazol-1-yl-benzamide Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)OC(C3)CNC(=O)C4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

CC(=O)C1=CC=CC=C1C2=CC3=C(C=C2)OC(C3)CNC(=O)C4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C27H23N3O3/c1-18(31)24-8-2-3-9-25(24)19-10-11-26-21(14-19)16-23(33-26)17-28-27(32)20-6-4-7-22(15-20)30-13-5-12-29-30/h2-15,23H,16-17H2,1H3,(H,28,32)