3-(2,3-dimethoxyphenyl)-N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide

Systemtic Name: 3-(2,3-dimethoxyphenyl)-N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide Openeye Name: 3-(2,3-dimethoxyphenyl)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide CAS Name: 3-(2,3-dimethoxyphenyl)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide IUPAC Name: 3-(2,3-dimethoxyphenyl)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide Traditional Name: 3-(2,3-dimethoxyphenyl)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]propionamide Formula: C24H27FN4O3 MolecularWeight: 438.494583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(=O)NC2=CC(=C(C=C2)F)C3=NN=C4N3CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(=O)NC2=CC(=C(C=C2)F)C3=NN=C4N3CCCCC4

InChI

InChI=1S/C24H27FN4O3/c1-31-20-8-6-7-16(23(20)32-2)10-13-22(30)26-17-11-12-19(25)18(15-17)24-28-27-21-9-4-3-5-14-29(21)24/h6-8,11-12,15H,3-5,9-10,13-14H2,1-2H3,(H,26,30)