(6R)-1-cyclohexyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C27H34N5O2+ MolecularWeight: 460.59116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(C[NH+](CC2=O)CC3=C(NN=C3)C4=CC=CC=C4)OCC5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)N2C[C@H](C[NH+](CC2=O)CC3=C(NN=C3)C4=CC=CC=C4)OCC5=CC=NC=C5

InChI

InChI=1S/C27H33N5O2/c33-26-19-31(16-23-15-29-30-27(23)22-7-3-1-4-8-22)17-25(34-20-21-11-13-28-14-12-21)18-32(26)24-9-5-2-6-10-24/h1,3-4,7-8,11-15,24-25H,2,5-6,9-10,16-20H2,(H,29,30)/p+1/t25-/m0/s1