N-(4-bromanyl-3-methyl-phenyl)-4-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(5,7-dimethyl-4-oxo-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(5,7-dimethyl-4-oxo-3-phenyl-6-pyrrolo[3,4-d]pyridazinyl)butanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)butanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(4-keto-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butyramide Formula: C25H25BrN4O2 MolecularWeight: 493.3956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCCN2C(=C3C=NN(C(=O)C3=C2C)C4=CC=CC=C4)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCCN2C(=C3C=NN(C(=O)C3=C2C)C4=CC=CC=C4)C)Br

InChI

InChI=1S/C25H25BrN4O2/c1-16-14-19(11-12-22(16)26)28-23(31)10-7-13-29-17(2)21-15-27-30(20-8-5-4-6-9-20)25(32)24(21)18(29)3/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H,28,31)