N-[3-benzamido-2-cyano-2-(2,4-dichlorophenyl)-1,3-dinaphthalen-1-yl-propyl]benzamide

Systemtic Name: N-[3-benzamido-2-cyano-2-(2,4-dichlorophenyl)-1,3-dinaphthalen-1-yl-propyl]benzamide Openeye Name: N-[3-benzamido-2-cyano-2-(2,4-dichlorophenyl)-1,3-bis(1-naphthyl)propyl]benzamide CAS Name: N-[3-benzamido-2-cyano-2-(2,4-dichlorophenyl)-1,3-bis(1-naphthalenyl)propyl]benzamide IUPAC Name: N-[3-benzamido-2-cyano-2-(2,4-dichlorophenyl)-1,3-dinaphthalen-1-ylpropyl]benzamide Traditional Name: N-[3-benzamido-2-cyano-2-(2,4-dichlorophenyl)-1,3-bis(1-naphthyl)propyl]benzamide Formula: C44H31Cl2N3O2 MolecularWeight: 704.64184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(C2=CC=CC3=CC=CC=C32)C(C#N)(C4=C(C=C(C=C4)Cl)Cl)C(C5=CC=CC6=CC=CC=C65)NC(=O)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(C2=CC=CC3=CC=CC=C32)C(C#N)(C4=C(C=C(C=C4)Cl)Cl)C(C5=CC=CC6=CC=CC=C65)NC(=O)C7=CC=CC=C7

InChI

InChI=1S/C44H31Cl2N3O2/c45-33-25-26-38(39(46)27-33)44(28-47,40(48-42(50)31-15-3-1-4-16-31)36-23-11-19-29-13-7-9-21-34(29)36)41(49-43(51)32-17-5-2-6-18-32)37-24-12-20-30-14-8-10-22-35(30)37/h1-27,40-41H,(H,48,50)(H,49,51)