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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate Openeye Name: [2-(azepan-1-yl)-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-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-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-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=NN(C(=O)CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4/c1-15(19(25)22-13-7-2-3-8-14-22)27-20(26)17-11-12-18(24)23(21-17)16-9-5-4-6-10-16/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3