[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate CAS Name: 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate Traditional Name: 6-keto-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-15(19(27)23-21(14-22)12-6-3-7-13-21)29-20(28)17-10-11-18(26)25(24-17)16-8-4-2-5-9-16/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,23,27)