zinc 1-(4-butanoylphenyl)-3-(pyridin-3-ylmethyl)urea chloride

Systemtic Name: zinc 1-(4-butanoylphenyl)-3-(pyridin-3-ylmethyl)urea chloride Openeye Name: zinc 1-(4-butanoylphenyl)-3-(3-pyridylmethyl)urea chloride CAS Name: zinc 1-[4-(1-oxobutyl)phenyl]-3-(3-pyridinylmethyl)urea chloride IUPAC Name: zinc 1-(4-butanoylphenyl)-3-(pyridin-3-ylmethyl)urea chloride Traditional Name: zinc 1-(4-butyrylphenyl)-3-(3-pyridylmethyl)urea chloride Formula: C17H19ClN3O2Zn+ MolecularWeight: 398.21366

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2.[Cl-].[Zn+2]

Isomeric SMILES

CCCC(=O)C1=CC=C(C=C1)NC(=O)NCC2=CN=CC=C2.[Cl-].[Zn+2]

InChI

InChI=1S/C17H19N3O2.ClH.Zn/c1-2-4-16(21)14-6-8-15(9-7-14)20-17(22)19-12-13-5-3-10-18-11-13;;/h3,5-11H,2,4,12H2,1H3,(H2,19,20,22);1H;/q;;+2/p-1