(3E)-1-methyl-3-[2-(1-methyl-2-oxidanylidene-quinolin-4-yl)-3-phenyl-1H-pyrazol-5-ylidene]quinoline-2,4-dione

Systemtic Name: (3E)-1-methyl-3-[2-(1-methyl-2-oxidanylidene-quinolin-4-yl)-3-phenyl-1H-pyrazol-5-ylidene]quinoline-2,4-dione Openeye Name: (3E)-1-methyl-3-[2-(1-methyl-2-oxo-4-quinolyl)-3-phenyl-1H-pyrazol-5-ylidene]quinoline-2,4-dione CAS Name: (3E)-1-methyl-3-[2-(1-methyl-2-oxo-4-quinolinyl)-3-phenyl-1H-pyrazol-5-ylidene]quinoline-2,4-dione IUPAC Name: (3E)-1-methyl-3-[2-(1-methyl-2-oxoquinolin-4-yl)-3-phenyl-1H-pyrazol-5-ylidene]quinoline-2,4-dione Traditional Name: (3E)-3-[1-(2-keto-1-methyl-4-quinolyl)-5-phenyl-3-pyrazolin-3-ylidene]-1-methyl-quinoline-2,4-quinone Formula: C29H22N4O3 MolecularWeight: 474.50998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC1=O)N3C(=CC(=C4C(=O)C5=CC=CC=C5N(C4=O)C)N3)C6=CC=CC=C6

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC1=O)N3C(=C/C(=C\4/C(=O)C5=CC=CC=C5N(C4=O)C)/N3)C6=CC=CC=C6

InChI

InChI=1S/C29H22N4O3/c1-31-22-14-8-6-12-19(22)25(17-26(31)34)33-24(18-10-4-3-5-11-18)16-21(30-33)27-28(35)20-13-7-9-15-23(20)32(2)29(27)36/h3-17,30H,1-2H3/b27-21+