N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(2,3-dihydrobenzofuran-2-ylmethyl)-3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(coumaran-2-ylmethyl)-3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3CC4=CC=CC=C4O3)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3CC4=CC=CC=C4O3)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H25N3O4/c1-32-24-13-12-19(15-25(24)33-2)26-22(17-30(29-26)20-9-4-3-5-10-20)27(31)28-16-21-14-18-8-6-7-11-23(18)34-21/h3-13,15,17,21H,14,16H2,1-2H3,(H,28,31)