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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-keto-N-methyl-3H-phthalazine-1-carboxamide Formula: C19H17BrN4O3 MolecularWeight: 429.26728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN4O3/c1-11-9-12(20)7-8-15(11)21-16(25)10-24(2)19(27)17-13-5-3-4-6-14(13)18(26)23-22-17/h3-9H,10H2,1-2H3,(H,21,25)(H,23,26)