4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide

Systemtic Name: 4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide Openeye Name: 4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide CAS Name: 4-[5-chloro-2-(2-quinolinyl)-1H-indol-3-yl]-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide IUPAC Name: 4-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)-N-(6-nitro-1,3-benzodioxol-5-yl)butanamide Traditional Name: 4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]-N-(6-nitro-1,3-benzodioxol-5-yl)butyramide Formula: C28H21ClN4O5 MolecularWeight: 528.94314

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)NC(=O)CCCC3=C(NC4=C3C=C(C=C4)Cl)C5=NC6=CC=CC=C6C=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)NC(=O)CCCC3=C(NC4=C3C=C(C=C4)Cl)C5=NC6=CC=CC=C6C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21ClN4O5/c29-17-9-11-21-19(12-17)18(28(32-21)22-10-8-16-4-1-2-6-20(16)30-22)5-3-7-27(34)31-23-13-25-26(38-15-37-25)14-24(23)33(35)36/h1-2,4,6,8-14,32H,3,5,7,15H2,(H,31,34)