(phenylmethyl) 4-(6-oxidanylidene-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(6-oxidanylidene-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxylate CAS Name: 4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxylate Traditional Name: 4-(6-keto-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxylic acid benzyl ester Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(NC2=O)N=NC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N2C3=C(NC2=O)N=NC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C18H19N5O3/c24-17-20-16-15(6-9-19-21-16)23(17)14-7-10-22(11-8-14)18(25)26-12-13-4-2-1-3-5-13/h1-6,9,14H,7-8,10-12H2,(H,20,21,24)