3-[(2S)-2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl]-1-phenyl-pyrazole-4-carbaldehyde

Systemtic Name: 3-[(2S)-2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl]-1-phenyl-pyrazole-4-carbaldehyde Openeye Name: 3-[(2S)-2,7-dimethyl-2,3-dihydrobenzofuran-5-yl]-1-phenyl-pyrazole-4-carbaldehyde CAS Name: 3-[(2S)-2,7-dimethyl-2,3-dihydrobenzofuran-5-yl]-1-phenyl-4-pyrazolecarboxaldehyde IUPAC Name: 3-[(2S)-2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl]-1-phenylpyrazole-4-carbaldehyde Traditional Name: 3-[(2S)-2,7-dimethylcoumaran-5-yl]-1-phenyl-pyrazole-4-carbaldehyde Formula: C20H18N2O2 MolecularWeight: 318.36912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C(=CC(=C2)C3=NN(C=C3C=O)C4=CC=CC=C4)C

Isomeric SMILES

C[C@H]1CC2=C(O1)C(=CC(=C2)C3=NN(C=C3C=O)C4=CC=CC=C4)C

InChI

InChI=1S/C20H18N2O2/c1-13-8-15(10-16-9-14(2)24-20(13)16)19-17(12-23)11-22(21-19)18-6-4-3-5-7-18/h3-8,10-12,14H,9H2,1-2H3/t14-/m0/s1