6-phenylmethoxy-4-(4-pyrazol-1-ylphenyl)carbonyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 6-phenylmethoxy-4-(4-pyrazol-1-ylphenyl)carbonyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(4-pyrazol-1-ylbenzoyl)-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-6-phenylmethoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-phenylmethoxy-4-(4-pyrazol-1-ylbenzoyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-(4-pyrazol-1-ylbenzoyl)-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)C2=CC=C(C=C2)N3C=CC=N3)CC4=CN=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)C2=CC=C(C=C2)N3C=CC=N3)CC4=CN=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O3/c34-27-20-32(28(35)24-9-11-25(12-10-24)33-15-5-14-30-33)19-26(36-21-22-6-2-1-3-7-22)18-31(27)17-23-8-4-13-29-16-23/h1-16,26H,17-21H2