4-oxidanylidene-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide

Systemtic Name: 4-oxidanylidene-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide Openeye Name: N-[1-(2-benzyloxyethyl)pyrazol-4-yl]-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxamide CAS Name: 4-oxo-N-[1-(2-phenylmethoxyethyl)-4-pyrazolyl]-6,7-dihydro-5H-benzofuran-3-carboxamide IUPAC Name: 4-oxo-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide Traditional Name: N-[1-(2-benzoxyethyl)pyrazol-4-yl]-4-keto-6,7-dihydro-5H-benzofuran-3-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=CO2)C(=O)NC3=CN(N=C3)CCOCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=CO2)C(=O)NC3=CN(N=C3)CCOCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4/c25-18-7-4-8-19-20(18)17(14-28-19)21(26)23-16-11-22-24(12-16)9-10-27-13-15-5-2-1-3-6-15/h1-3,5-6,11-12,14H,4,7-10,13H2,(H,23,26)