methyl 3-[6-(2-aminophenyl)-5-(3-azanyl-3-oxidanylidene-propyl)pyridazin-3-yl]benzoate

Systemtic Name: methyl 3-[6-(2-aminophenyl)-5-(3-azanyl-3-oxidanylidene-propyl)pyridazin-3-yl]benzoate Openeye Name: methyl 3-[5-(3-amino-3-oxo-propyl)-6-(2-aminophenyl)pyridazin-3-yl]benzoate CAS Name: 3-[5-(3-amino-3-oxopropyl)-6-(2-aminophenyl)-3-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[5-(3-amino-3-oxopropyl)-6-(2-aminophenyl)pyridazin-3-yl]benzoate Traditional Name: 3-[5-(3-amino-3-keto-propyl)-6-(2-aminophenyl)pyridazin-3-yl]benzoic acid methyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=NN=C(C(=C2)CCC(=O)N)C3=CC=CC=C3N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=NN=C(C(=C2)CCC(=O)N)C3=CC=CC=C3N

InChI

InChI=1S/C21H20N4O3/c1-28-21(27)15-6-4-5-13(11-15)18-12-14(9-10-19(23)26)20(25-24-18)16-7-2-3-8-17(16)22/h2-8,11-12H,9-10,22H2,1H3,(H2,23,26)