N-[4-(6,7-dimethoxy-1-oxidanidyl-quinolin-1-ium-4-yl)oxy-3-fluoranyl-phenyl]-3-methyl-5-oxidanylidene-1-phenyl-2-prop-2-enyl-pyrazole-4-carboxamide

Systemtic Name: N-[4-(6,7-dimethoxy-1-oxidanidyl-quinolin-1-ium-4-yl)oxy-3-fluoranyl-phenyl]-3-methyl-5-oxidanylidene-1-phenyl-2-prop-2-enyl-pyrazole-4-carboxamide Openeye Name: 1-allyl-N-[4-(6,7-dimethoxy-1-oxido-quinolin-1-ium-4-yl)oxy-3-fluoro-phenyl]-5-methyl-3-oxo-2-phenyl-pyrazole-4-carboxamide CAS Name: N-[4-[(6,7-dimethoxy-1-oxido-4-quinolin-1-iumyl)oxy]-3-fluorophenyl]-3-methyl-5-oxo-1-phenyl-2-prop-2-enyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(6,7-dimethoxy-1-oxidoquinolin-1-ium-4-yl)oxy-3-fluorophenyl]-3-methyl-5-oxo-1-phenyl-2-prop-2-enylpyrazole-4-carboxamide Traditional Name: 1-allyl-N-[4-(6,7-dimethoxy-1-oxido-quinolin-1-ium-4-yl)oxy-3-fluoro-phenyl]-3-keto-5-methyl-2-phenyl-3-pyrazoline-4-carboxamide Formula: C31H27FN4O6 MolecularWeight: 570.567683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1CC=C)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=[N+](C=C4)[O-])OC)OC)F

Isomeric SMILES

CC1=C(C(=O)N(N1CC=C)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=[N+](C=C4)[O-])OC)OC)F

InChI

InChI=1S/C31H27FN4O6/c1-5-14-34-19(2)29(31(38)36(34)21-9-7-6-8-10-21)30(37)33-20-11-12-26(23(32)16-20)42-25-13-15-35(39)24-18-28(41-4)27(40-3)17-22(24)25/h5-13,15-18H,1,14H2,2-4H3,(H,33,37)