1-[(2S)-4-[3-(4-chloranylphenoxy)azetidin-1-yl]-1-oxidanyl-butan-2-yl]-3-(5-cyclopropyl-2-methyl-pyrazol-3-yl)urea

Systemtic Name: 1-[(2S)-4-[3-(4-chloranylphenoxy)azetidin-1-yl]-1-oxidanyl-butan-2-yl]-3-(5-cyclopropyl-2-methyl-pyrazol-3-yl)urea Openeye Name: 1-[(1S)-3-[3-(4-chlorophenoxy)azetidin-1-yl]-1-(hydroxymethyl)propyl]-3-(5-cyclopropyl-2-methyl-pyrazol-3-yl)urea CAS Name: 1-[(2S)-4-[3-(4-chlorophenoxy)-1-azetidinyl]-1-hydroxybutan-2-yl]-3-(5-cyclopropyl-2-methyl-3-pyrazolyl)urea IUPAC Name: 1-[(2S)-4-[3-(4-chlorophenoxy)azetidin-1-yl]-1-hydroxybutan-2-yl]-3-(5-cyclopropyl-2-methylpyrazol-3-yl)urea Traditional Name: 1-[(1S)-3-[3-(4-chlorophenoxy)azetidin-1-yl]-1-methylol-propyl]-3-(5-cyclopropyl-2-methyl-pyrazol-3-yl)urea Formula: C21H28ClN5O3 MolecularWeight: 433.93172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2CC2)NC(=O)NC(CCN3CC(C3)OC4=CC=C(C=C4)Cl)CO

Isomeric SMILES

CN1C(=CC(=N1)C2CC2)NC(=O)N[C@@H](CCN3CC(C3)OC4=CC=C(C=C4)Cl)CO

InChI

InChI=1S/C21H28ClN5O3/c1-26-20(10-19(25-26)14-2-3-14)24-21(29)23-16(13-28)8-9-27-11-18(12-27)30-17-6-4-15(22)5-7-17/h4-7,10,14,16,18,28H,2-3,8-9,11-13H2,1H3,(H2,23,24,29)/t16-/m0/s1