N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C23H25BrN4O3 MolecularWeight: 485.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C23H25BrN4O3/c1-3-4-7-12-28-23(31)18-9-6-5-8-17(18)21(27-28)22(30)25-14-20(29)26-19-11-10-16(24)13-15(19)2/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,25,30)(H,26,29)