N-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-3-(2,4-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-3-(2,4-dimethoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(2,4-dimethoxyphenyl)-4-oxo-N-[2-oxo-2-(sec-butylamino)ethyl]phthalazine-1-carboxamide CAS Name: N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(2,4-dimethoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(butan-2-ylamino)-2-oxoethyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-(2,4-dimethoxyphenyl)-4-keto-N-[2-keto-2-(sec-butylamino)ethyl]phthalazine-1-carboxamide Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCC(C)NC(=O)CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C23H26N4O5/c1-5-14(2)25-20(28)13-24-22(29)21-16-8-6-7-9-17(16)23(30)27(26-21)18-11-10-15(31-3)12-19(18)32-4/h6-12,14H,5,13H2,1-4H3,(H,24,29)(H,25,28)