2-[2-(3-iodanylphenyl)ethanoylamino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide

Systemtic Name: 2-[2-(3-iodanylphenyl)ethanoylamino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide Openeye Name: 2-[[2-(3-iodophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide CAS Name: 2-[[2-(3-iodophenyl)-1-oxoethyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide IUPAC Name: 2-[[2-(3-iodophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide Traditional Name: 2-[[2-(3-iodophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)butyramide Formula: C21H21IN4O2 MolecularWeight: 488.32151

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NNC(=C1)C2=CC=CC=C2)NC(=O)CC3=CC(=CC=C3)I

Isomeric SMILES

CCC(C(=O)NC1=NNC(=C1)C2=CC=CC=C2)NC(=O)CC3=CC(=CC=C3)I

InChI

InChI=1S/C21H21IN4O2/c1-2-17(23-20(27)12-14-7-6-10-16(22)11-14)21(28)24-19-13-18(25-26-19)15-8-4-3-5-9-15/h3-11,13,17H,2,12H2,1H3,(H,23,27)(H2,24,25,26,28)