[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C23H25N3O4/c1-5-14(2)16-10-8-9-13-19(16)24-21(27)15(3)30-23(29)20-17-11-6-7-12-18(17)22(28)26(4)25-20/h6-15H,5H2,1-4H3,(H,24,27)