methyl 4-[3-[(5-bromanyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]propoxy]-3-butyl-benzoate

Systemtic Name: methyl 4-[3-[(5-bromanyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]propoxy]-3-butyl-benzoate Openeye Name: methyl 4-[3-[(5-bromo-1-isopropyl-6-oxo-pyridazin-4-yl)amino]propoxy]-3-butyl-benzoate CAS Name: 4-[3-[(5-bromo-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]propoxy]-3-butylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-[(5-bromo-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]propoxy]-3-butylbenzoate Traditional Name: 4-[3-[(5-bromo-1-isopropyl-6-keto-pyridazin-4-yl)amino]propoxy]-3-butyl-benzoic acid methyl ester Formula: C22H30BrN3O4 MolecularWeight: 480.3953

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C(=O)OC)OCCCNC2=C(C(=O)N(N=C2)C(C)C)Br

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C(=O)OC)OCCCNC2=C(C(=O)N(N=C2)C(C)C)Br

InChI

InChI=1S/C22H30BrN3O4/c1-5-6-8-16-13-17(22(28)29-4)9-10-19(16)30-12-7-11-24-18-14-25-26(15(2)3)21(27)20(18)23/h9-10,13-15,24H,5-8,11-12H2,1-4H3