ethyl 4-[2-cyano-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-cyano-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-5-yl)phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-cyano-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-cyano-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-cyano-4-(6-oxo-4,5-dihydro-1H-pyridazin-5-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-cyano-4-(6-keto-4,5-dihydro-1H-pyridazin-5-yl)phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3CC=NNC3=O)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C3CC=NNC3=O)C#N

InChI

InChI=1S/C18H21N5O3/c1-2-26-18(25)23-9-7-22(8-10-23)16-4-3-13(11-14(16)12-19)15-5-6-20-21-17(15)24/h3-4,6,11,15H,2,5,7-10H2,1H3,(H,21,24)