2-(4-bromanylphenoxy)ethyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: 2-(4-bromophenoxy)ethyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid 2-(4-bromophenoxy)ethyl ester Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O4/c1-13(2)23-19(24)17-6-4-3-5-16(17)18(22-23)20(25)27-12-11-26-15-9-7-14(21)8-10-15/h3-10,13H,11-12H2,1-2H3