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

Systemtic Name: 6-phenylmethoxy-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 6-phenylmethoxy-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-phenylmethoxy-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O2/c34-27-20-32(17-25-15-30-31-28(25)24-11-5-2-6-12-24)18-26(35-21-22-8-3-1-4-9-22)19-33(27)16-23-10-7-13-29-14-23/h1-15,26H,16-21H2,(H,30,31)