N-ethyl-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide hydrochloride

Systemtic Name: N-ethyl-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide hydrochloride Openeye Name: N-ethyl-4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide hydrochloride CAS Name: N-ethyl-4-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide hydrochloride IUPAC Name: N-ethyl-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide hydrochloride Traditional Name: N-ethyl-4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide hydrochloride Formula: C23H27ClFN3O2 MolecularWeight: 431.930783

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)CC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C23H26FN3O2.ClH/c1-2-25-23(28)27-10-4-9-26(11-12-27)16-21-15-19-13-18(7-8-22(19)29-21)17-5-3-6-20(24)14-17;/h3,5-8,13-15H,2,4,9-12,16H2,1H3,(H,25,28);1H