ethyl 2,4-dimethyl-5-[1-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinyl]ethylidene]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[1-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylhydrazinyl]ethylidene]pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[1-[2-(3-methyl-4-oxo-phthalazine-1-carbonyl)hydrazino]ethylidene]pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]ethylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]ethylidene]pyrrole-3-carboxylate Traditional Name: 5-[1-[N'-(4-keto-3-methyl-phthalazine-1-carbonyl)hydrazino]ethylidene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)N=C1C)C

InChI

InChI=1S/C21H23N5O4/c1-6-30-21(29)16-11(2)17(22-12(16)3)13(4)23-24-19(27)18-14-9-7-8-10-15(14)20(28)26(5)25-18/h7-10,23H,6H2,1-5H3,(H,24,27)