[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-2-methoxy-phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C=C3)OC(=O)C4=CC=NC=C4)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C=C3)OC(=O)C4=CC=NC=C4)OC

InChI

InChI=1S/C25H22N4O4/c1-17-23(24(30)29(28(17)2)20-7-5-4-6-8-20)27-16-18-9-10-21(22(15-18)32-3)33-25(31)19-11-13-26-14-12-19/h4-16H,1-3H3