N-(2-ethoxyphenyl)-4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butanamide

Systemtic Name: N-(2-ethoxyphenyl)-4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butanamide Openeye Name: N-(2-ethoxyphenyl)-4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butanamide CAS Name: N-(2-ethoxyphenyl)-4-(4-iodo-3,5-dimethyl-1-pyrazolyl)butanamide IUPAC Name: N-(2-ethoxyphenyl)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)butanamide Traditional Name: 4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)-N-o-phenetyl-butyramide Formula: C17H22IN3O2 MolecularWeight: 427.27995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CCCN2C(=C(C(=N2)C)I)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CCCN2C(=C(C(=N2)C)I)C

InChI

InChI=1S/C17H22IN3O2/c1-4-23-15-9-6-5-8-14(15)19-16(22)10-7-11-21-13(3)17(18)12(2)20-21/h5-6,8-9H,4,7,10-11H2,1-3H3,(H,19,22)