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

Systemtic Name: [1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]naphthalen-2-yl] pyridine-3-carboxylate Openeye Name: [1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2-naphthyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-2-naphthalenyl] ester IUPAC Name: [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-2-naphthyl] ester Formula: C28H22N4O3 MolecularWeight: 462.49928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C=CC4=CC=CC=C43)OC(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C=CC4=CC=CC=C43)OC(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H22N4O3/c1-19-26(27(33)32(31(19)2)22-11-4-3-5-12-22)30-18-24-23-13-7-6-9-20(23)14-15-25(24)35-28(34)21-10-8-16-29-17-21/h3-18H,1-2H3