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

Systemtic Name: N-(4-bromophenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(4-bromophenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(4-bromophenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(4-bromophenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(4-bromophenyl)-4-keto-phthalazine-1-carboxamide Formula: C22H16BrN3O2 MolecularWeight: 434.28534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O2/c23-16-10-12-17(13-11-16)24-21(27)20-18-8-4-5-9-19(18)22(28)26(25-20)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,27)