(E)-2-cyano-N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-(3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]-3-(3-methoxyphenyl)acrylamide Formula: C24H22FN5O2 MolecularWeight: 431.462183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C#N)C(=O)NC2=CC(=C(C=C2)F)C3=NN=C4N3CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC(=C(C=C2)F)C3=NN=C4N3CCCCC4

InChI

InChI=1S/C24H22FN5O2/c1-32-19-7-5-6-16(13-19)12-17(15-26)24(31)27-18-9-10-21(25)20(14-18)23-29-28-22-8-3-2-4-11-30(22)23/h5-7,9-10,12-14H,2-4,8,11H2,1H3,(H,27,31)/b17-12+