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

Systemtic Name: 3-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C18H15BrN4O3/c1-10-8-11(19)6-7-14(10)21-15(24)9-23-18(26)13-5-3-2-4-12(13)16(22-23)17(20)25/h2-8H,9H2,1H3,(H2,20,25)(H,21,24)