N-[2-(4-bromophenyl)propan-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(4-bromophenyl)propan-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[1-(4-bromophenyl)-1-methyl-ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(4-bromophenyl)propan-2-yl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-bromophenyl)propan-2-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[1-(4-bromophenyl)-1-methyl-ethyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O2/c1-4-13-25-20(27)17-8-6-5-7-16(17)18(24-25)19(26)23-21(2,3)14-9-11-15(22)12-10-14/h5-12H,4,13H2,1-3H3,(H,23,26)