2-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-(6-chloro-3-pyridazinyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(6-chloropyridazin-3-yl)piperazino]ethyl ester Formula: C18H21Cl2N5O3 MolecularWeight: 426.29704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=NN=C(C=C3)Cl)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCN(CC2)C3=NN=C(C=C3)Cl)Cl)N

InChI

InChI=1S/C18H21Cl2N5O3/c1-27-15-11-14(21)13(19)10-12(15)18(26)28-9-8-24-4-6-25(7-5-24)17-3-2-16(20)22-23-17/h2-3,10-11H,4-9,21H2,1H3