N-(3-bromophenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(3-bromophenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(3-bromophenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(3-bromophenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(3-bromophenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(3-bromophenyl)-4-keto-phthalazine-1-carboxamide Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrN3O2/c1-2-3-6-12-24-20(26)17-11-5-4-10-16(17)18(23-24)19(25)22-15-9-7-8-14(21)13-15/h4-5,7-11,13H,2-3,6,12H2,1H3,(H,22,25)