(8-chloranyl-1-methyl-6-phenyl-3,4-dihydro-2H-1,5-benzodiazocin-3-yl) benzoate

Systemtic Name: (8-chloranyl-1-methyl-6-phenyl-3,4-dihydro-2H-1,5-benzodiazocin-3-yl) benzoate Openeye Name: (8-chloro-1-methyl-6-phenyl-3,4-dihydro-2H-1,5-benzodiazocin-3-yl) benzoate CAS Name: benzoic acid (8-chloro-1-methyl-6-phenyl-3,4-dihydro-2H-1,5-benzodiazocin-3-yl) ester IUPAC Name: (8-chloro-1-methyl-6-phenyl-3,4-dihydro-2H-1,5-benzodiazocin-3-yl) benzoate Traditional Name: benzoic acid (8-chloro-1-methyl-6-phenyl-3,4-dihydro-2H-1,5-benzodiazocin-3-yl) ester Formula: C24H21ClN2O2 MolecularWeight: 404.88874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CC(CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21ClN2O2/c1-27-16-20(29-24(28)18-10-6-3-7-11-18)15-26-23(17-8-4-2-5-9-17)21-14-19(25)12-13-22(21)27/h2-14,20H,15-16H2,1H3