2,4-bis(fluoranyl)-N-[3-[[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]amino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 2,4-bis(fluoranyl)-N-[3-[[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 2,4-difluoro-N-[3-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]-3-oxo-propyl]benzamide CAS Name: 2,4-difluoro-N-[3-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]-3-oxopropyl]benzamide IUPAC Name: 2,4-difluoro-N-[3-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]-3-oxopropyl]benzamide Traditional Name: 2,4-difluoro-N-[3-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)anilino]-3-keto-propyl]benzamide Formula: C23H22F3N5O2 MolecularWeight: 457.44829

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)CCNC(=O)C4=C(C=C(C=C4)F)F)F

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)CCNC(=O)C4=C(C=C(C=C4)F)F)F

InChI

InChI=1S/C23H22F3N5O2/c24-14-5-7-16(19(26)12-14)23(33)27-10-9-21(32)28-15-6-8-18(25)17(13-15)22-30-29-20-4-2-1-3-11-31(20)22/h5-8,12-13H,1-4,9-11H2,(H,27,33)(H,28,32)