3-[(E,5R)-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-5-phenyl-pent-2-enoyl]-1-methyl-2-oxidanyl-quinolin-4-one

Systemtic Name: 3-[(E,5R)-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-5-phenyl-pent-2-enoyl]-1-methyl-2-oxidanyl-quinolin-4-one Openeye Name: 3-[(E,5R)-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-5-phenyl-pent-2-enoyl]-2-hydroxy-1-methyl-quinolin-4-one CAS Name: 3-[(E,5R)-5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxo-5-phenylpent-2-enyl]-2-hydroxy-1-methyl-4-quinolinone IUPAC Name: 3-[(E,5R)-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-5-phenylpent-2-enoyl]-2-hydroxy-1-methylquinolin-4-one Traditional Name: 2-hydroxy-3-[(E,5R)-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-5-phenyl-pent-2-enoyl]-1-methyl-4-quinolone Formula: C32H30N4O4 MolecularWeight: 534.605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(CC=CC(=O)C3=C(N(C4=CC=CC=C4C3=O)C)O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N[C@H](C/C=C/C(=O)C3=C(N(C4=CC=CC=C4C3=O)C)O)C5=CC=CC=C5

InChI

InChI=1S/C32H30N4O4/c1-21-29(32(40)36(35(21)3)23-15-8-5-9-16-23)33-25(22-13-6-4-7-14-22)18-12-20-27(37)28-30(38)24-17-10-11-19-26(24)34(2)31(28)39/h4-17,19-20,25,33,39H,18H2,1-3H3/b20-12+/t25-/m1/s1