2-[(8-azanyl-5-bromanyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,3,3-tris(fluoranyl)-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-propanamide

Systemtic Name: 2-[(8-azanyl-5-bromanyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,3,3-tris(fluoranyl)-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-propanamide Openeye Name: 2-[(8-amino-5-bromo-tetralin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide CAS Name: 2-[(8-amino-5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide IUPAC Name: 2-[(8-amino-5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide Traditional Name: 2-[(8-amino-5-bromo-tetralin-1-yl)methyl]-3,3,3-trifluoro-2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)propionamide Formula: C23H21BrF3N3O4 MolecularWeight: 540.32975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC3CCCC4=C(C=CC(=C34)N)Br)(C(F)(F)F)O

Isomeric SMILES

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC3CCCC4=C(C=CC(=C34)N)Br)(C(F)(F)F)O

InChI

InChI=1S/C23H21BrF3N3O4/c1-11-16-9-13(5-6-14(16)20(31)34-30-11)29-21(32)22(33,23(25,26)27)10-12-3-2-4-15-17(24)7-8-18(28)19(12)15/h5-9,12,33H,2-4,10,28H2,1H3,(H,29,32)