N-(4-bromanyl-3-methyl-phenyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-isobutyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-isobutyl-4-keto-phthalazine-1-carboxamide Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C)Br

InChI

InChI=1S/C20H20BrN3O2/c1-12(2)11-24-20(26)16-7-5-4-6-15(16)18(23-24)19(25)22-14-8-9-17(21)13(3)10-14/h4-10,12H,11H2,1-3H3,(H,22,25)