[4-[2-(4-fluorophenyl)ethynyl]-3-(2-imidazol-1-ylpyridin-4-yl)-2-(3-oxidanylidenepropanoylamino)phenyl]carbamic acid

Systemtic Name: [4-[2-(4-fluorophenyl)ethynyl]-3-(2-imidazol-1-ylpyridin-4-yl)-2-(3-oxidanylidenepropanoylamino)phenyl]carbamic acid Openeye Name: [4-[2-(4-fluorophenyl)ethynyl]-3-(2-imidazol-1-yl-4-pyridyl)-2-(3-oxopropanoylamino)phenyl]carbamic acid CAS Name: [2-(1,3-dioxopropylamino)-4-[2-(4-fluorophenyl)ethynyl]-3-[2-(1-imidazolyl)-4-pyridinyl]phenyl]carbamic acid IUPAC Name: [4-[2-(4-fluorophenyl)ethynyl]-3-(2-imidazol-1-ylpyridin-4-yl)-2-(3-oxopropanoylamino)phenyl]carbamic acid Traditional Name: [4-[2-(4-fluorophenyl)ethynyl]-3-(2-imidazol-1-yl-4-pyridyl)-2-(3-ketopropanoylamino)phenyl]carbamic acid Formula: C26H18FN5O4 MolecularWeight: 483.450623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=C(C(=C(C=C2)NC(=O)O)NC(=O)CC=O)C3=CC(=NC=C3)N4C=CN=C4)F

Isomeric SMILES

C1=CC(=CC=C1C#CC2=C(C(=C(C=C2)NC(=O)O)NC(=O)CC=O)C3=CC(=NC=C3)N4C=CN=C4)F

InChI

InChI=1S/C26H18FN5O4/c27-20-6-2-17(3-7-20)1-4-18-5-8-21(30-26(35)36)25(31-23(34)10-14-33)24(18)19-9-11-29-22(15-19)32-13-12-28-16-32/h2-3,5-9,11-16,30H,10H2,(H,31,34)(H,35,36)