2,8-dimethyl-7-phenylmethoxy-3-(1-phenylpyrazol-4-yl)oxy-chromen-4-one

Systemtic Name: 2,8-dimethyl-7-phenylmethoxy-3-(1-phenylpyrazol-4-yl)oxy-chromen-4-one Openeye Name: 7-benzyloxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)oxy-chromen-4-one CAS Name: 2,8-dimethyl-7-phenylmethoxy-3-[(1-phenyl-4-pyrazolyl)oxy]-1-benzopyran-4-one IUPAC Name: 2,8-dimethyl-7-phenylmethoxy-3-(1-phenylpyrazol-4-yl)oxychromen-4-one Traditional Name: 7-benzoxy-2,8-dimethyl-3-(1-phenylpyrazol-4-yl)oxy-chromone Formula: C27H22N2O4 MolecularWeight: 438.47458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CN(N=C3)C4=CC=CC=C4)C)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CN(N=C3)C4=CC=CC=C4)C)OCC5=CC=CC=C5

InChI

InChI=1S/C27H22N2O4/c1-18-24(31-17-20-9-5-3-6-10-20)14-13-23-25(30)27(19(2)32-26(18)23)33-22-15-28-29(16-22)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3