1-[3-[(5-chloranylpyridin-3-yl)methyl]phenyl]-3-methyl-3-oxidanyl-1-prop-2-ynyl-urea

Systemtic Name: 1-[3-[(5-chloranylpyridin-3-yl)methyl]phenyl]-3-methyl-3-oxidanyl-1-prop-2-ynyl-urea Openeye Name: 1-[3-[(5-chloro-3-pyridyl)methyl]phenyl]-3-hydroxy-3-methyl-1-prop-2-ynyl-urea CAS Name: 1-[3-[(5-chloro-3-pyridinyl)methyl]phenyl]-3-hydroxy-3-methyl-1-prop-2-ynylurea IUPAC Name: 1-[3-[(5-chloropyridin-3-yl)methyl]phenyl]-3-hydroxy-3-methyl-1-prop-2-ynylurea Traditional Name: 1-[3-[(5-chloro-3-pyridyl)methyl]phenyl]-3-hydroxy-3-methyl-1-propargyl-urea Formula: C17H16ClN3O2 MolecularWeight: 329.78084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)N(CC#C)C1=CC=CC(=C1)CC2=CC(=CN=C2)Cl)O

Isomeric SMILES

CN(C(=O)N(CC#C)C1=CC=CC(=C1)CC2=CC(=CN=C2)Cl)O

InChI

InChI=1S/C17H16ClN3O2/c1-3-7-21(17(22)20(2)23)16-6-4-5-13(10-16)8-14-9-15(18)12-19-11-14/h1,4-6,9-12,23H,7-8H2,2H3