N-(2-bromophenyl)-3-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propanamide

Systemtic Name: N-(2-bromophenyl)-3-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propanamide Openeye Name: N-(2-bromophenyl)-3-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propanamide CAS Name: N-(2-bromophenyl)-3-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)propanamide IUPAC Name: N-(2-bromophenyl)-3-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide Traditional Name: N-(2-bromophenyl)-3-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propionamide Formula: C22H20BrN5O2 MolecularWeight: 466.3305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCC(=O)NC4=CC=CC=C4Br)C

Isomeric SMILES

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCC(=O)NC4=CC=CC=C4Br)C

InChI

InChI=1S/C22H20BrN5O2/c1-14-20-15(2)28(16-8-4-3-5-9-16)26-21(20)22(30)27(25-14)13-12-19(29)24-18-11-7-6-10-17(18)23/h3-11H,12-13H2,1-2H3,(H,24,29)