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

Systemtic Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-phenethyl-1,4-diazepane Openeye Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-phenethyl-1,4-diazepane CAS Name: 1-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-4-phenethyl-1,4-diazepane IUPAC Name: 1-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-4-phenethyl-1,4-diazepane Traditional Name: 1-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-4-phenethyl-1,4-diazepane Formula: C28H29FN2O MolecularWeight: 428.541063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)F)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)CC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)F)CCC5=CC=CC=C5

InChI

InChI=1S/C28H29FN2O/c29-26-9-4-8-23(19-26)24-10-11-28-25(18-24)20-27(32-28)21-31-14-5-13-30(16-17-31)15-12-22-6-2-1-3-7-22/h1-4,6-11,18-20H,5,12-17,21H2