(E)-1-(4-pyrazol-1-ylcarbonylphenyl)-3-(5,6,7-trimethoxyquinolin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-pyrazol-1-ylcarbonylphenyl)-3-(5,6,7-trimethoxyquinolin-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(pyrazole-1-carbonyl)phenyl]-3-(5,6,7-trimethoxy-2-quinolyl)prop-2-en-1-one CAS Name: (E)-1-[4-[oxo(1-pyrazolyl)methyl]phenyl]-3-(5,6,7-trimethoxy-2-quinolinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(pyrazole-1-carbonyl)phenyl]-3-(5,6,7-trimethoxyquinolin-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(pyrazole-1-carbonyl)phenyl]-3-(5,6,7-trimethoxy-2-quinolyl)prop-2-en-1-one Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C=CC(=NC2=C1)C=CC(=O)C3=CC=C(C=C3)C(=O)N4C=CC=N4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C=CC(=NC2=C1)/C=C/C(=O)C3=CC=C(C=C3)C(=O)N4C=CC=N4)OC)OC

InChI

InChI=1S/C25H21N3O5/c1-31-22-15-20-19(23(32-2)24(22)33-3)11-9-18(27-20)10-12-21(29)16-5-7-17(8-6-16)25(30)28-14-4-13-26-28/h4-15H,1-3H3/b12-10+