6-hexyl-7-methoxy-3-(1-phenylpyrazol-4-yl)chromen-4-one

Systemtic Name: 6-hexyl-7-methoxy-3-(1-phenylpyrazol-4-yl)chromen-4-one Openeye Name: 6-hexyl-7-methoxy-3-(1-phenylpyrazol-4-yl)chromen-4-one CAS Name: 6-hexyl-7-methoxy-3-(1-phenyl-4-pyrazolyl)-1-benzopyran-4-one IUPAC Name: 6-hexyl-7-methoxy-3-(1-phenylpyrazol-4-yl)chromen-4-one Traditional Name: 6-hexyl-7-methoxy-3-(1-phenylpyrazol-4-yl)chromone Formula: C25H26N2O3 MolecularWeight: 402.48554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CN(N=C3)C4=CC=CC=C4)OC

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CN(N=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H26N2O3/c1-3-4-5-7-10-18-13-21-24(14-23(18)29-2)30-17-22(25(21)28)19-15-26-27(16-19)20-11-8-6-9-12-20/h6,8-9,11-17H,3-5,7,10H2,1-2H3