N-tert-butyl-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxamide

Systemtic Name: N-tert-butyl-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxamide Openeye Name: N-tert-butyl-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carboxamide CAS Name: N-tert-butyl-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carboxamide IUPAC Name: N-tert-butyl-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxamide Traditional Name: N-tert-butyl-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)phthalan-5-carboxamide Formula: C24H31FN2O2 MolecularWeight: 398.513543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC2=C(C=C1)C(OC2)(CCCN(C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC2=C(C=C1)C(OC2)(CCCN(C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H31FN2O2/c1-23(2,3)26-22(28)17-7-12-21-18(15-17)16-29-24(21,13-6-14-27(4)5)19-8-10-20(25)11-9-19/h7-12,15H,6,13-14,16H2,1-5H3,(H,26,28)