1-(phenylmethyl)-4-[1-(phenylmethyl)pyrazol-4-yl]carbonyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-(phenylmethyl)-4-[1-(phenylmethyl)pyrazol-4-yl]carbonyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(1-benzylpyrazole-4-carbonyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]-1-(phenylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(1-benzylpyrazole-4-carbonyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-(1-benzylpyrazole-4-carbonyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)OCC5=CC=CC=N5

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)OCC5=CC=CC=N5

InChI

InChI=1S/C29H29N5O3/c35-28-21-33(29(36)25-15-31-34(18-25)17-24-11-5-2-6-12-24)20-27(37-22-26-13-7-8-14-30-26)19-32(28)16-23-9-3-1-4-10-23/h1-15,18,27H,16-17,19-22H2