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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-butyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-butyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-butyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-butyl-4-keto-phthalazine-1-carboxamide Formula: C22H23BrN4O3 MolecularWeight: 471.34702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O3/c1-3-4-11-27-22(30)17-8-6-5-7-16(17)20(26-27)21(29)24-13-19(28)25-18-10-9-15(23)12-14(18)2/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,29)(H,25,28)