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

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-fluorophenyl)methyl]-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane CAS Name: 1-[(3-fluorophenyl)methyl]-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane Traditional Name: 1-(3-fluorobenzyl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane Formula: C25H25FN2OS MolecularWeight: 420.542203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25FN2OS/c26-23-4-1-3-19(13-23)16-27-8-2-9-28(11-10-27)17-24-15-22-14-20(5-6-25(22)29-24)21-7-12-30-18-21/h1,3-7,12-15,18H,2,8-11,16-17H2