N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-3-fluoranyl-N-propyl-benzamide

Systemtic Name: N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-3-fluoranyl-N-propyl-benzamide Openeye Name: N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-3-fluoro-N-propyl-benzamide CAS Name: N-[[2-(dimethylamino)-5-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3-fluoro-N-propylbenzamide IUPAC Name: N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-3-fluoro-N-propylbenzamide Traditional Name: N-[2-(dimethylamino)-5-(isobutyrylamino)benzyl]-3-fluoro-N-propyl-benzamide Formula: C23H30FN3O2 MolecularWeight: 399.501603

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C(C=CC(=C1)NC(=O)C(C)C)N(C)C)C(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CCCN(CC1=C(C=CC(=C1)NC(=O)C(C)C)N(C)C)C(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C23H30FN3O2/c1-6-12-27(23(29)17-8-7-9-19(24)13-17)15-18-14-20(25-22(28)16(2)3)10-11-21(18)26(4)5/h7-11,13-14,16H,6,12,15H2,1-5H3,(H,25,28)