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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=C(C=C3)Br

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCOC3=CC=C(C=C3)Br

InChI

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