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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1C2=CC=CC=C2C(O1)(CCCN(C)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCNC(=O)C1C2=CC=CC=C2C(O1)(CCCN(C)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H31FN2O2/c1-4-5-16-26-23(28)22-20-9-6-7-10-21(20)24(29-22,15-8-17-27(2)3)18-11-13-19(25)14-12-18/h6-7,9-14,22H,4-5,8,15-17H2,1-3H3,(H,26,28)