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

Systemtic Name: 1-cyclohexyl-4-(4-pyrazol-1-ylphenyl)carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-cyclohexyl-4-(4-pyrazol-1-ylbenzoyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(4-pyrazol-1-ylbenzoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-cyclohexyl-4-(4-pyrazol-1-ylbenzoyl)-6-(3-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=C(C=C3)N4C=CC=N4)OCC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CC(CN(CC2=O)C(=O)C3=CC=C(C=C3)N4C=CC=N4)OCC5=CN=CC=C5

InChI

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