1-(3-butanoylphenyl)-3-(5-cyanopyridin-2-yl)-1-cyclopropyl-urea

Systemtic Name: 1-(3-butanoylphenyl)-3-(5-cyanopyridin-2-yl)-1-cyclopropyl-urea Openeye Name: 1-(3-butanoylphenyl)-3-(5-cyano-2-pyridyl)-1-cyclopropyl-urea CAS Name: 3-(5-cyano-2-pyridinyl)-1-cyclopropyl-1-[3-(1-oxobutyl)phenyl]urea IUPAC Name: 1-(3-butanoylphenyl)-3-(5-cyanopyridin-2-yl)-1-cyclopropylurea Traditional Name: 1-(3-butyrylphenyl)-3-(5-cyano-2-pyridyl)-1-cyclopropyl-urea Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=CC=C1)N(C2CC2)C(=O)NC3=NC=C(C=C3)C#N

Isomeric SMILES

CCCC(=O)C1=CC(=CC=C1)N(C2CC2)C(=O)NC3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4O2/c1-2-4-18(25)15-5-3-6-17(11-15)24(16-8-9-16)20(26)23-19-10-7-14(12-21)13-22-19/h3,5-7,10-11,13,16H,2,4,8-9H2,1H3,(H,22,23,26)