[5-bromanyl-6-oxidanylidene-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl ethanoate

Systemtic Name: [5-bromanyl-6-oxidanylidene-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl ethanoate Openeye Name: [5-bromo-6-oxo-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl acetate CAS Name: acetic acid [5-bromo-6-oxo-4-(4-phenyl-1-piperazinyl)-1-pyridazinyl]methyl ester IUPAC Name: [5-bromo-6-oxo-4-(4-phenylpiperazin-1-yl)pyridazin-1-yl]methyl acetate Traditional Name: acetic acid [5-bromo-6-keto-4-(4-phenylpiperazino)pyridazin-1-yl]methyl ester Formula: C17H19BrN4O3 MolecularWeight: 407.26176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCN1C(=O)C(=C(C=N1)N2CCN(CC2)C3=CC=CC=C3)Br

Isomeric SMILES

CC(=O)OCN1C(=O)C(=C(C=N1)N2CCN(CC2)C3=CC=CC=C3)Br

InChI

InChI=1S/C17H19BrN4O3/c1-13(23)25-12-22-17(24)16(18)15(11-19-22)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3