1-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]but-3-yn-2-yl]-3-methyl-1-oxidanyl-urea

Systemtic Name: 1-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]but-3-yn-2-yl]-3-methyl-1-oxidanyl-urea Openeye Name: 1-[3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl]-1-hydroxy-3-methyl-urea CAS Name: 1-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazolyl]but-3-yn-2-yl]-1-hydroxy-3-methylurea IUPAC Name: 1-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]but-3-yn-2-yl]-1-hydroxy-3-methylurea Traditional Name: 1-[3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-1-methyl-prop-2-ynyl]-1-hydroxy-3-methyl-urea Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)N(C(=O)NC)O

Isomeric SMILES

CC(C#CC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)N(C(=O)NC)O

InChI

InChI=1S/C22H21ClN4O3/c1-15(27(29)22(28)24-2)4-9-18-14-21(16-5-7-17(23)8-6-16)26(25-18)19-10-12-20(30-3)13-11-19/h5-8,10-15,29H,1-3H3,(H,24,28)