N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N,3-dimethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N,3-dimethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(2,5-dimethylanilino)-2-oxo-ethyl]-N,3-dimethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(2,5-dimethylanilino)-2-keto-ethyl]-4-keto-N,3-dimethyl-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-13-9-10-14(2)17(11-13)22-18(26)12-24(3)21(28)19-15-7-5-6-8-16(15)20(27)25(4)23-19/h5-11H,12H2,1-4H3,(H,22,26)