1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-(3-pyridylmethyl)-1,4-diazepane Formula: C26H26FN3O MolecularWeight: 415.502543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)F)CC5=CN=CC=C5

Isomeric SMILES

C1CN(CCN(C1)CC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)F)CC5=CN=CC=C5

InChI

InChI=1S/C26H26FN3O/c27-24-6-1-5-21(15-24)22-7-8-26-23(14-22)16-25(31-26)19-30-11-3-10-29(12-13-30)18-20-4-2-9-28-17-20/h1-2,4-9,14-17H,3,10-13,18-19H2