methyl 2-[5-chloranyl-6-oxidanylidene-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-6-oxidanylidene-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-6-oxo-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-6-oxo-4-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-6-oxo-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]pyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-6-keto-4-[3-[4-(2-pyrimidyl)piperazino]propylamino]pyridazin-1-yl]benzoic acid methyl ester Formula: C23H26ClN7O3 MolecularWeight: 483.95064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)NCCCN3CCN(CC3)C4=NC=CC=N4)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)NCCCN3CCN(CC3)C4=NC=CC=N4)Cl

InChI

InChI=1S/C23H26ClN7O3/c1-34-22(33)17-6-2-3-7-19(17)31-21(32)20(24)18(16-28-31)25-10-5-11-29-12-14-30(15-13-29)23-26-8-4-9-27-23/h2-4,6-9,16,25H,5,10-15H2,1H3