6-ethyl-8-(morpholin-4-ylmethyl)-7-oxidanyl-3-(1-phenylpyrazol-4-yl)oxy-chromen-4-one

Systemtic Name: 6-ethyl-8-(morpholin-4-ylmethyl)-7-oxidanyl-3-(1-phenylpyrazol-4-yl)oxy-chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-8-(morpholinomethyl)-3-(1-phenylpyrazol-4-yl)oxy-chromen-4-one CAS Name: 6-ethyl-7-hydroxy-8-(4-morpholinylmethyl)-3-[(1-phenyl-4-pyrazolyl)oxy]-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-8-(morpholin-4-ylmethyl)-3-(1-phenylpyrazol-4-yl)oxychromen-4-one Traditional Name: 6-ethyl-7-hydroxy-8-(morpholinomethyl)-3-(1-phenylpyrazol-4-yl)oxy-chromone Formula: C25H25N3O5 MolecularWeight: 447.4831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)OC3=CN(N=C3)C4=CC=CC=C4)CN5CCOCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)OC3=CN(N=C3)C4=CC=CC=C4)CN5CCOCC5)O

InChI

InChI=1S/C25H25N3O5/c1-2-17-12-20-24(30)22(33-19-13-26-28(14-19)18-6-4-3-5-7-18)16-32-25(20)21(23(17)29)15-27-8-10-31-11-9-27/h3-7,12-14,16,29H,2,8-11,15H2,1H3