N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-4-nitro-benzamide

Systemtic Name: N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-4-nitro-benzamide Openeye Name: N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-4-nitro-benzamide CAS Name: N-[5-(4-chlorophenyl)-9-benzimidazolo[2,1-a]phthalazinyl]-4-nitrobenzamide IUPAC Name: N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-4-nitrobenzamide Traditional Name: N-[5-(4-chlorophenyl)benzimidazolo[2,1-a]phthalazin-9-yl]-4-nitro-benzamide Formula: C27H16ClN5O3 MolecularWeight: 493.90064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN3C2=NC4=C3C=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN3C2=NC4=C3C=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)Cl

InChI

InChI=1S/C27H16ClN5O3/c28-18-9-5-16(6-10-18)25-21-3-1-2-4-22(21)26-30-23-14-11-19(15-24(23)32(26)31-25)29-27(34)17-7-12-20(13-8-17)33(35)36/h1-15H,(H,29,34)