1-cyclohexyl-6-phenylmethoxy-4-(1H-pyrazol-4-ylcarbonyl)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-6-phenylmethoxy-4-(1H-pyrazol-4-ylcarbonyl)-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-cyclohexyl-4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[oxo(1H-pyrazol-4-yl)methyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-6-phenylmethoxy-4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-cyclohexyl-4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-2-one Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=CNN=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=CNN=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3/c27-21-15-25(22(28)18-11-23-24-12-18)13-20(29-16-17-7-3-1-4-8-17)14-26(21)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,19-20H,2,5-6,9-10,13-16H2,(H,23,24)