methyl 4-[3-[(5-chloranyl-6-oxidanylidene-1H-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate

Systemtic Name: methyl 4-[3-[(5-chloranyl-6-oxidanylidene-1H-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate Openeye Name: methyl 4-[3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate CAS Name: 4-[3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]propoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]propoxy]-3-propylbenzoate Traditional Name: 4-[3-[(5-chloro-6-keto-1H-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoic acid methyl ester Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OC)OCCCNC2=C(C(=O)NN=C2)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OC)OCCCNC2=C(C(=O)NN=C2)Cl

InChI

InChI=1S/C18H22ClN3O4/c1-3-5-12-10-13(18(24)25-2)6-7-15(12)26-9-4-8-20-14-11-21-22-17(23)16(14)19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,20,22,23)