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

Systemtic Name: methyl 4-[3-[(5-bromanyl-1-ethyl-6-oxidanylidene-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate Openeye Name: methyl 4-[3-[(5-bromo-1-ethyl-6-oxo-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoate CAS Name: 4-[3-[(5-bromo-1-ethyl-6-oxo-4-pyridazinyl)amino]propoxy]-3-propylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]propoxy]-3-propylbenzoate Traditional Name: 4-[3-[(5-bromo-1-ethyl-6-keto-pyridazin-4-yl)amino]propoxy]-3-propyl-benzoic acid methyl ester Formula: C20H26BrN3O4 MolecularWeight: 452.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)OC)OCCCNC2=C(C(=O)N(N=C2)CC)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)OC)OCCCNC2=C(C(=O)N(N=C2)CC)Br

InChI

InChI=1S/C20H26BrN3O4/c1-4-7-14-12-15(20(26)27-3)8-9-17(14)28-11-6-10-22-16-13-23-24(5-2)19(25)18(16)21/h8-9,12-13,22H,4-7,10-11H2,1-3H3