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

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)NC2=CC=CC=C2)C(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C27H26N4O4/c1-18(2)31(21-15-13-20(14-16-21)28-19-9-5-4-6-10-19)24(32)17-35-27(34)25-22-11-7-8-12-23(22)26(33)30(3)29-25/h4-16,18,28H,17H2,1-3H3