ethyl 1-[4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]carbonylphenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[4-[(3-fluorophenyl)methylene]piperidine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[4-[(3-fluorophenyl)methylidene]-1-piperidinyl]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[4-(3-fluorobenzylidene)piperidine-1-carbonyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C26H26FN3O3 MolecularWeight: 447.501343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCC(=CC4=CC(=CC=C4)F)CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)N3CCC(=CC4=CC(=CC=C4)F)CC3)C

InChI

InChI=1S/C26H26FN3O3/c1-3-33-26(32)24-17-28-30(18(24)2)23-9-7-21(8-10-23)25(31)29-13-11-19(12-14-29)15-20-5-4-6-22(27)16-20/h4-10,15-17H,3,11-14H2,1-2H3