N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)NC3=C(C=CC=C3C)C

InChI

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