4-[2,5-bis(fluoranyl)-4-[(3-methylbutylamino)methyl]phenyl]-3-methyl-benzamide

Systemtic Name: 4-[2,5-bis(fluoranyl)-4-[(3-methylbutylamino)methyl]phenyl]-3-methyl-benzamide Openeye Name: 4-[2,5-difluoro-4-[(isopentylamino)methyl]phenyl]-3-methyl-benzamide CAS Name: 4-[2,5-difluoro-4-[(3-methylbutylamino)methyl]phenyl]-3-methylbenzamide IUPAC Name: 4-[2,5-difluoro-4-[(3-methylbutylamino)methyl]phenyl]-3-methylbenzamide Traditional Name: 4-[2,5-difluoro-4-[(isoamylamino)methyl]phenyl]-3-methyl-benzamide Formula: C20H24F2N2O MolecularWeight: 346.414166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)C2=CC(=C(C=C2F)CNCCC(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)C2=CC(=C(C=C2F)CNCCC(C)C)F

InChI

InChI=1S/C20H24F2N2O/c1-12(2)6-7-24-11-15-9-19(22)17(10-18(15)21)16-5-4-14(20(23)25)8-13(16)3/h4-5,8-10,12,24H,6-7,11H2,1-3H3,(H2,23,25)