1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,4-diazepane CAS Name: 1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,4-diazepane Traditional Name: 1-benzyl-4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,4-diazepane Formula: C21H25FN2O2 MolecularWeight: 356.433803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=C3C(=CC(=C2)F)COCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=C3C(=CC(=C2)F)COCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25FN2O2/c22-20-11-18(21-19(12-20)15-25-16-26-21)14-24-8-4-7-23(9-10-24)13-17-5-2-1-3-6-17/h1-3,5-6,11-12H,4,7-10,13-16H2