4-(3-bromanylpropyl)-7-methoxy-8-phenylmethoxy-1-[2,2,2-tris(fluoranyl)ethanoyl]-1,4-benzodiazepin-5-one

Systemtic Name: 4-(3-bromanylpropyl)-7-methoxy-8-phenylmethoxy-1-[2,2,2-tris(fluoranyl)ethanoyl]-1,4-benzodiazepin-5-one Openeye Name: 8-benzyloxy-4-(3-bromopropyl)-7-methoxy-1-(2,2,2-trifluoroacetyl)-1,4-benzodiazepin-5-one CAS Name: 4-(3-bromopropyl)-7-methoxy-8-phenylmethoxy-1-(2,2,2-trifluoro-1-oxoethyl)-1,4-benzodiazepin-5-one IUPAC Name: 4-(3-bromopropyl)-7-methoxy-8-phenylmethoxy-1-(2,2,2-trifluoroacetyl)-1,4-benzodiazepin-5-one Traditional Name: 8-benzoxy-4-(3-bromopropyl)-7-methoxy-1-(2,2,2-trifluoroacetyl)-1,4-benzodiazepin-5-one Formula: C22H20BrF3N2O4 MolecularWeight: 513.30441

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=CN2C(=O)C(F)(F)F)CCCBr)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=CN2C(=O)C(F)(F)F)CCCBr)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20BrF3N2O4/c1-31-18-12-16-17(13-19(18)32-14-15-6-3-2-4-7-15)28(21(30)22(24,25)26)11-10-27(20(16)29)9-5-8-23/h2-4,6-7,10-13H,5,8-9,14H2,1H3