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

Systemtic Name: 4-(2-ethoxyphenoxy)-N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]butanamide Openeye Name: 4-(2-ethoxyphenoxy)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]butanamide CAS Name: 4-(2-ethoxyphenoxy)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]butanamide IUPAC Name: 4-(2-ethoxyphenoxy)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]butanamide Traditional Name: 4-(2-ethoxyphenoxy)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]butyramide Formula: C25H29FN4O3 MolecularWeight: 452.521163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)NC2=CC(=C(C=C2)F)C3=NN=C4N3CCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)NC2=CC(=C(C=C2)F)C3=NN=C4N3CCCCC4

InChI

InChI=1S/C25H29FN4O3/c1-2-32-21-9-5-6-10-22(21)33-16-8-12-24(31)27-18-13-14-20(26)19(17-18)25-29-28-23-11-4-3-7-15-30(23)25/h5-6,9-10,13-14,17H,2-4,7-8,11-12,15-16H2,1H3,(H,27,31)