ethyl 4-[(4-cyano-2-fluoranyl-phenyl)carbonyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(4-cyano-2-fluoranyl-phenyl)carbonyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(4-cyano-2-fluoro-benzoyl)-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[(4-cyano-2-fluorophenyl)-oxomethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-cyano-2-fluorobenzoyl)-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[(4-cyano-2-fluoro-benzoyl)-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C23H18FN3O3 MolecularWeight: 403.405723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C23H18FN3O3/c1-2-30-23(29)18-4-6-19(7-5-18)27(15-16-9-11-26-12-10-16)22(28)20-8-3-17(14-25)13-21(20)24/h3-13H,2,15H2,1H3