2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-methyl-3-oxidanylidene-N-(quinolin-3-ylmethyl)-1,4-benzoxazine-7-carboxamide

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-methyl-3-oxidanylidene-N-(quinolin-3-ylmethyl)-1,4-benzoxazine-7-carboxamide Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)methyl]-4-methyl-3-oxo-N-(3-quinolylmethyl)-1,4-benzoxazine-7-carboxamide CAS Name: 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-3-oxo-N-(3-quinolinylmethyl)-1,4-benzoxazine-7-carboxamide IUPAC Name: 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-3-oxo-N-(quinolin-3-ylmethyl)-1,4-benzoxazine-7-carboxamide Traditional Name: 2-(3-chloro-4-fluoro-benzyl)-3-keto-4-methyl-N-(3-quinolylmethyl)-1,4-benzoxazine-7-carboxamide Formula: C27H21ClFN3O3 MolecularWeight: 489.925343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCC3=CC4=CC=CC=C4N=C3)OC(C1=O)CC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCC3=CC4=CC=CC=C4N=C3)OC(C1=O)CC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C27H21ClFN3O3/c1-32-23-9-7-19(26(33)31-15-17-10-18-4-2-3-5-22(18)30-14-17)13-24(23)35-25(27(32)34)12-16-6-8-21(29)20(28)11-16/h2-11,13-14,25H,12,15H2,1H3,(H,31,33)