ethyl 2-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)-pentyl-amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]-pentylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

InChI

InChI=1S/C23H28N4O4S/c1-5-8-11-14-26(23-24-15(4)19(32-23)22(30)31-7-3)21(29)18-16-12-9-10-13-17(16)20(28)27(6-2)25-18/h9-10,12-13H,5-8,11,14H2,1-4H3