N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-4-fluoranyl-benzamide

Systemtic Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-4-fluoranyl-benzamide Openeye Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-4-fluoro-benzamide CAS Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]-4-fluorobenzamide IUPAC Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-4-fluorobenzamide Traditional Name: N-cyclopropyl-N-[2-(dimethylamino)-5-(isovalerylamino)benzyl]-4-fluoro-benzamide Formula: C24H30FN3O2 MolecularWeight: 411.512303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(C2CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(C2CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H30FN3O2/c1-16(2)13-23(29)26-20-9-12-22(27(3)4)18(14-20)15-28(21-10-11-21)24(30)17-5-7-19(25)8-6-17/h5-9,12,14,16,21H,10-11,13,15H2,1-4H3,(H,26,29)