N-[2-(2-acetamidoethyl)-4,5-dimethoxy-phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2-acetamidoethyl)-4,5-dimethoxy-phenyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(2-acetamidoethyl)-4,5-dimethoxy-phenyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(2-acetamidoethyl)-4,5-dimethoxyphenyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(2-acetamidoethyl)-4,5-dimethoxyphenyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(2-acetamidoethyl)-4,5-dimethoxy-phenyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC(=C(C=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OC)OC

Isomeric SMILES

CC(=O)NCCC1=CC(=C(C=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)OC)OC

InChI

InChI=1S/C22H24N4O5/c1-13(27)23-10-9-14-11-18(30-3)19(31-4)12-17(14)24-21(28)20-15-7-5-6-8-16(15)22(29)26(2)25-20/h5-8,11-12H,9-10H2,1-4H3,(H,23,27)(H,24,28)