3-[2-(4-azanyl-4-oxidanylidene-butoxy)-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoranyl-4-methyl-benzamide

Systemtic Name: 3-[2-(4-azanyl-4-oxidanylidene-butoxy)-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoranyl-4-methyl-benzamide Openeye Name: 3-[2-(4-amino-4-oxo-butoxy)-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide CAS Name: 3-[2-(4-amino-4-oxobutoxy)-4-[(2,2-dimethylpropylamino)-oxomethyl]phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide IUPAC Name: 3-[2-(4-amino-4-oxobutoxy)-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide Traditional Name: 3-[2-(4-amino-4-keto-butoxy)-4-(neopentylcarbamoyl)phenyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide Formula: C27H34FN3O4 MolecularWeight: 483.574963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=C(C=C(C=C2)C(=O)NCC(C)(C)C)OCCCC(=O)N)C(=O)NC3CC3)F

Isomeric SMILES

CC1=C(C=C(C=C1C2=C(C=C(C=C2)C(=O)NCC(C)(C)C)OCCCC(=O)N)C(=O)NC3CC3)F

InChI

InChI=1S/C27H34FN3O4/c1-16-21(12-18(13-22(16)28)26(34)31-19-8-9-19)20-10-7-17(25(33)30-15-27(2,3)4)14-23(20)35-11-5-6-24(29)32/h7,10,12-14,19H,5-6,8-9,11,15H2,1-4H3,(H2,29,32)(H,30,33)(H,31,34)