5-tert-butyl-1-[[4-(4-chlorophenyl)carbonylphenyl]methyl]pyrazolo[3,4-d]pyridazin-4-one

Systemtic Name: 5-tert-butyl-1-[[4-(4-chlorophenyl)carbonylphenyl]methyl]pyrazolo[3,4-d]pyridazin-4-one Openeye Name: 5-tert-butyl-1-[[4-(4-chlorobenzoyl)phenyl]methyl]pyrazolo[3,4-d]pyridazin-4-one CAS Name: 5-tert-butyl-1-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-4-pyrazolo[3,4-d]pyridazinone IUPAC Name: 5-tert-butyl-1-[[4-(4-chlorobenzoyl)phenyl]methyl]pyrazolo[3,4-d]pyridazin-4-one Traditional Name: 5-tert-butyl-1-[4-(4-chlorobenzoyl)benzyl]pyrazolo[3,4-d]pyridazin-4-one Formula: C23H21ClN4O2 MolecularWeight: 420.89144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(C=N1)N(N=C2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(C=N1)N(N=C2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O2/c1-23(2,3)28-22(30)19-12-25-27(20(19)13-26-28)14-15-4-6-16(7-5-15)21(29)17-8-10-18(24)11-9-17/h4-13H,14H2,1-3H3