ethyl (Z)-2-(2-fluoranyl-4-pyridin-4-yl-phenyl)carbonyl-3-(pyridin-4-ylamino)prop-2-enoate

Systemtic Name: ethyl (Z)-2-(2-fluoranyl-4-pyridin-4-yl-phenyl)carbonyl-3-(pyridin-4-ylamino)prop-2-enoate Openeye Name: ethyl (Z)-2-[2-fluoro-4-(4-pyridyl)benzoyl]-3-(4-pyridylamino)prop-2-enoate CAS Name: (Z)-2-[(2-fluoro-4-pyridin-4-ylphenyl)-oxomethyl]-3-(pyridin-4-ylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-(2-fluoro-4-pyridin-4-ylbenzoyl)-3-(pyridin-4-ylamino)prop-2-enoate Traditional Name: (Z)-2-[2-fluoro-4-(4-pyridyl)benzoyl]-3-(4-pyridylamino)acrylic acid ethyl ester Formula: C22H18FN3O3 MolecularWeight: 391.395023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=NC=C1)C(=O)C2=C(C=C(C=C2)C3=CC=NC=C3)F

Isomeric SMILES

CCOC(=O)/C(=C\NC1=CC=NC=C1)/C(=O)C2=C(C=C(C=C2)C3=CC=NC=C3)F

InChI

InChI=1S/C22H18FN3O3/c1-2-29-22(28)19(14-26-17-7-11-25-12-8-17)21(27)18-4-3-16(13-20(18)23)15-5-9-24-10-6-15/h3-14H,2H2,1H3,(H,25,26)/b19-14-