4-[[5-(4-bromanylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylamino]cyclohexan-1-ol

Systemtic Name: 4-[[5-(4-bromanylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylamino]cyclohexan-1-ol Openeye Name: 4-[[5-(4-bromophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylamino]cyclohexanol CAS Name: 4-[[5-(4-bromophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methylamino]-1-cyclohexanol IUPAC Name: 4-[[5-(4-bromophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]cyclohexan-1-ol Traditional Name: 4-[[5-(4-bromophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylamino]cyclohexanol Formula: C23H26BrN3O2 MolecularWeight: 456.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNC2CCC(CC2)O)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CNC2CCC(CC2)O)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H26BrN3O2/c1-16-22(15-25-18-9-11-20(28)12-10-18)23(29-21-13-7-17(24)8-14-21)27(26-16)19-5-3-2-4-6-19/h2-8,13-14,18,20,25,28H,9-12,15H2,1H3