5-azanyl-4-[2,6-bis(chloranyl)phenyl]-1-tert-butyl-2-propan-2-yl-pyrazol-3-one

Systemtic Name: 5-azanyl-4-[2,6-bis(chloranyl)phenyl]-1-tert-butyl-2-propan-2-yl-pyrazol-3-one Openeye Name: 5-amino-1-tert-butyl-4-(2,6-dichlorophenyl)-2-isopropyl-pyrazol-3-one CAS Name: 5-amino-1-tert-butyl-4-(2,6-dichlorophenyl)-2-propan-2-yl-3-pyrazolone IUPAC Name: 5-amino-1-tert-butyl-4-(2,6-dichlorophenyl)-2-propan-2-ylpyrazol-3-one Traditional Name: 5-amino-1-tert-butyl-4-(2,6-dichlorophenyl)-2-isopropyl-3-pyrazolin-3-one Formula: C16H21Cl2N3O MolecularWeight: 342.26344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=C(N1C(C)(C)C)N)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

CC(C)N1C(=O)C(=C(N1C(C)(C)C)N)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C16H21Cl2N3O/c1-9(2)20-15(22)13(14(19)21(20)16(3,4)5)12-10(17)7-6-8-11(12)18/h6-9H,19H2,1-5H3