4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-phenylmethoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C28H28FN5O2 MolecularWeight: 485.552623

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1CC2=C(NN=C2)C3=CC=C(C=C3)F)CC4=CN=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C(CN(C(=O)CN1CC2=C(NN=C2)C3=CC=C(C=C3)F)CC4=CN=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H28FN5O2/c29-25-10-8-23(9-11-25)28-24(14-31-32-28)16-33-17-26(36-20-21-5-2-1-3-6-21)18-34(27(35)19-33)15-22-7-4-12-30-13-22/h1-14,26H,15-20H2,(H,31,32)