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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrN4O3/c1-3-10-26-21(29)16-7-5-4-6-15(16)19(25-26)20(28)23-12-18(27)24-17-9-8-14(22)11-13(17)2/h4-9,11H,3,10,12H2,1-2H3,(H,23,28)(H,24,27)