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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C20H20BrN3O2/c1-3-4-11-24-20(26)16-8-6-5-7-15(16)18(23-24)19(25)22-14-9-10-17(21)13(2)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)