methyl 2-[5-bromanyl-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: methyl 2-[5-bromanyl-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: methyl 2-[5-bromo-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-bromo-4-[4-(3-chlorophenyl)-1-piperazinyl]-6-oxo-1-pyridazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-bromo-4-[4-(3-chlorophenyl)piperazino]-6-keto-pyridazin-1-yl]acetic acid methyl ester Formula: C17H18BrClN4O3 MolecularWeight: 441.70682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(C=N1)N2CCN(CC2)C3=CC(=CC=C3)Cl)Br

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(C=N1)N2CCN(CC2)C3=CC(=CC=C3)Cl)Br

InChI

InChI=1S/C17H18BrClN4O3/c1-26-15(24)11-23-17(25)16(18)14(10-20-23)22-7-5-21(6-8-22)13-4-2-3-12(19)9-13/h2-4,9-10H,5-8,11H2,1H3