[4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone

Systemtic Name: [4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone Openeye Name: [4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-[5-[3-(trifluoromethyl)phenyl]-2-furyl]methanone CAS Name: [4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepan-1-yl]-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]methanone IUPAC Name: [4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone Traditional Name: [4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-[5-[3-(trifluoromethyl)phenyl]-2-furyl]methanone Formula: C28H27F3N4O2 MolecularWeight: 508.53479

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)CC4=NC=CN4CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)CC4=NC=CN4CC5=CC=CC=C5

InChI

InChI=1S/C28H27F3N4O2/c29-28(30,31)23-9-4-8-22(18-23)24-10-11-25(37-24)27(36)34-14-5-13-33(16-17-34)20-26-32-12-15-35(26)19-21-6-2-1-3-7-21/h1-4,6-12,15,18H,5,13-14,16-17,19-20H2