methyl 2-ethyl-4-methyl-5-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]hydrazo]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-5-[[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C(=C(N3)CC)C(=O)OC)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C(=C(N3)CC)C(=O)OC)C

InChI

InChI=1S/C22H25N5O5/c1-5-11-27-21(30)14-10-8-7-9-13(14)18(26-27)20(29)25-24-19(28)17-12(3)16(22(31)32-4)15(6-2)23-17/h7-10,23H,5-6,11H2,1-4H3,(H,24,28)(H,25,29)