4-[[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]carbonylamino]butanoyl chloride

Systemtic Name: 4-[[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]carbonylamino]butanoyl chloride Openeye Name: 4-[[1-[(4-isopropylphenoxy)methyl]pyrazole-3-carbonyl]amino]butanoyl chloride CAS Name: 4-[[oxo-[1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolyl]methyl]amino]butanoyl chloride IUPAC Name: 4-[[1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbonyl]amino]butanoyl chloride Traditional Name: 4-[[1-[(4-isopropylphenoxy)methyl]pyrazole-3-carbonyl]amino]butyryl chloride Formula: C18H22ClN3O3 MolecularWeight: 363.83858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NCCCC(=O)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NCCCC(=O)Cl

InChI

InChI=1S/C18H22ClN3O3/c1-13(2)14-5-7-15(8-6-14)25-12-22-11-9-16(21-22)18(24)20-10-3-4-17(19)23/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,20,24)