N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-ethyl]-4-fluoranyl-benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-ethyl]-4-fluoro-benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]-4-fluorobenzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]-4-fluorobenzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-ethyl]-4-fluoro-benzamide Formula: C24H22FNO3 MolecularWeight: 391.434783

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)F)OC1

InChI

InChI=1S/C24H22FNO3/c25-20-10-7-18(8-11-20)24(27)26-21(15-17-5-2-1-3-6-17)19-9-12-22-23(16-19)29-14-4-13-28-22/h1-3,5-12,16,21H,4,13-15H2,(H,26,27)