1-[4-(4-chlorophenyl)but-3-ynyl]-1-methyl-urea

Systemtic Name: 1-[4-(4-chlorophenyl)but-3-ynyl]-1-methyl-urea Openeye Name: 1-[4-(4-chlorophenyl)but-3-ynyl]-1-methyl-urea CAS Name: 1-[4-(4-chlorophenyl)but-3-ynyl]-1-methylurea IUPAC Name: 1-[4-(4-chlorophenyl)but-3-ynyl]-1-methylurea Traditional Name: 1-[4-(4-chlorophenyl)but-3-ynyl]-1-methyl-urea Formula: C12H13ClN2O MolecularWeight: 236.69742

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#CC1=CC=C(C=C1)Cl)C(=O)N

Isomeric SMILES

CN(CCC#CC1=CC=C(C=C1)Cl)C(=O)N

InChI

InChI=1S/C12H13ClN2O/c1-15(12(14)16)9-3-2-4-10-5-7-11(13)8-6-10/h5-8H,3,9H2,1H3,(H2,14,16)