1-cyclohexyl-4-(3-pyrazol-1-ylphenyl)carbonyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-(3-pyrazol-1-ylphenyl)carbonyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-(3-pyrazol-1-ylbenzoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[oxo-[3-(1-pyrazolyl)phenyl]methyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(3-pyrazol-1-ylbenzoyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-(3-pyrazol-1-ylbenzoyl)-6-(2-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=CC(=CC=C3)N4C=CC=N4)OCC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=CC(=CC=C3)N4C=CC=N4)OCC5=CC=CC=N5

InChI

InChI=1S/C27H31N5O3/c33-26-19-30(27(34)21-8-6-12-24(16-21)32-15-7-14-29-32)17-25(35-20-22-9-4-5-13-28-22)18-31(26)23-10-2-1-3-11-23/h4-9,12-16,23,25H,1-3,10-11,17-20H2