2-[3-(cyclohexylamino)-2-oxidanyl-propoxy]-3-(1-methylpyrazol-4-yl)-1-phenyl-propan-1-one

Systemtic Name: 2-[3-(cyclohexylamino)-2-oxidanyl-propoxy]-3-(1-methylpyrazol-4-yl)-1-phenyl-propan-1-one Openeye Name: 2-[3-(cyclohexylamino)-2-hydroxy-propoxy]-3-(1-methylpyrazol-4-yl)-1-phenyl-propan-1-one CAS Name: 2-[3-(cyclohexylamino)-2-hydroxypropoxy]-3-(1-methyl-4-pyrazolyl)-1-phenyl-1-propanone IUPAC Name: 2-[3-(cyclohexylamino)-2-hydroxypropoxy]-3-(1-methylpyrazol-4-yl)-1-phenylpropan-1-one Traditional Name: 2-[3-(cyclohexylamino)-2-hydroxy-propoxy]-3-(1-methylpyrazol-4-yl)-1-phenyl-propan-1-one Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CC(C(=O)C2=CC=CC=C2)OCC(CNC3CCCCC3)O

Isomeric SMILES

CN1C=C(C=N1)CC(C(=O)C2=CC=CC=C2)OCC(CNC3CCCCC3)O

InChI

InChI=1S/C22H31N3O3/c1-25-15-17(13-24-25)12-21(22(27)18-8-4-2-5-9-18)28-16-20(26)14-23-19-10-6-3-7-11-19/h2,4-5,8-9,13,15,19-21,23,26H,3,6-7,10-12,14,16H2,1H3