tert-butyl 3-(4-fluorophenyl)-5-[[(phenylmethylidene)amino]methyl]-4-pyridin-4-yl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 3-(4-fluorophenyl)-5-[[(phenylmethylidene)amino]methyl]-4-pyridin-4-yl-pyrazole-1-carboxylate Openeye Name: tert-butyl 5-[(benzylideneamino)methyl]-3-(4-fluorophenyl)-4-(4-pyridyl)pyrazole-1-carboxylate CAS Name: 3-(4-fluorophenyl)-5-[[(phenylmethylene)amino]methyl]-4-pyridin-4-yl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(benzylideneamino)methyl]-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazole-1-carboxylate Traditional Name: 5-[(benzalamino)methyl]-3-(4-fluorophenyl)-4-(4-pyridyl)pyrazole-1-carboxylic acid tert-butyl ester Formula: C27H25FN4O2 MolecularWeight: 456.511403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=NC=C3)CN=CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=NC=C3)CN=CC4=CC=CC=C4

InChI

InChI=1S/C27H25FN4O2/c1-27(2,3)34-26(33)32-23(18-30-17-19-7-5-4-6-8-19)24(20-13-15-29-16-14-20)25(31-32)21-9-11-22(28)12-10-21/h4-17H,18H2,1-3H3