N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O3/c1-4-11-25-21(27)16-8-6-5-7-15(16)19(24-25)20(26)23-13(2)14-9-10-18(28-3)17(22)12-14/h5-10,12-13H,4,11H2,1-3H3,(H,23,26)