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

Systemtic Name: 3-(2,2-dimethylpropanoylamino)-N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide Openeye Name: 3-(2,2-dimethylpropanoylamino)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide IUPAC Name: 3-(2,2-dimethylpropanoylamino)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide Traditional Name: N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]-3-(pivaloylamino)benzamide Formula: C25H28FN5O2 MolecularWeight: 449.520523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)C3=NN=C4N3CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)C3=NN=C4N3CCCCC4

InChI

InChI=1S/C25H28FN5O2/c1-25(2,3)24(33)28-17-9-7-8-16(14-17)23(32)27-18-11-12-20(26)19(15-18)22-30-29-21-10-5-4-6-13-31(21)22/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3,(H,27,32)(H,28,33)