(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide CAS Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-N-[(1-phenyl-4-pyrazolyl)methyl]-2-propenamide IUPAC Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide Traditional Name: (E)-3-coumaran-5-yl-N-[(1-phenylpyrazol-4-yl)methyl]acrylamide Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C=CC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)/C=C/C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2/c25-21(9-7-16-6-8-20-18(12-16)10-11-26-20)22-13-17-14-23-24(15-17)19-4-2-1-3-5-19/h1-9,12,14-15H,10-11,13H2,(H,22,25)/b9-7+