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

Systemtic Name: N-(4-ethylphenyl)-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-ethylphenyl)-4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-ethylphenyl)-4-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-ethylphenyl)-4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-ethylphenyl)-4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C29H30FN3O2 MolecularWeight: 471.565803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C29H30FN3O2/c1-2-21-7-10-26(11-8-21)31-29(34)33-14-4-13-32(15-16-33)20-27-19-24-17-23(9-12-28(24)35-27)22-5-3-6-25(30)18-22/h3,5-12,17-19H,2,4,13-16,20H2,1H3,(H,31,34)