5-azanyl-2-[2-(4-cyclohexylphenoxy)propyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[2-(4-cyclohexylphenoxy)propyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[2-(4-cyclohexylphenoxy)propyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[2-(4-cyclohexylphenoxy)propyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[2-(4-cyclohexylphenoxy)propyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-[2-(4-cyclohexylphenoxy)propyl]-3-pyrazolin-3-one Formula: C18H25N3O2 MolecularWeight: 315.41

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C=C(N1)N)OC2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CC(CN1C(=O)C=C(N1)N)OC2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C18H25N3O2/c1-13(12-21-18(22)11-17(19)20-21)23-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-11,13-14,20H,2-6,12,19H2,1H3