[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate CAS Name: 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate Traditional Name: 6-keto-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4/c25-19(22-16-9-5-2-1-3-6-10-16)15-28-21(27)18-13-14-20(26)24(23-18)17-11-7-4-8-12-17/h4,7-8,11-12,16H,1-3,5-6,9-10,13-15H2,(H,22,25)