3-chloranyl-6-(2-chloranyl-6-fluoranyl-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 3-chloranyl-6-(2-chloranyl-6-fluoranyl-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 3-chloro-6-(2-chloro-6-fluoro-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 3-chloro-6-(2-chloro-6-fluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 3-chloro-6-(2-chloro-6-fluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 3-chloro-6-(2-chloro-6-fluoro-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C21H19Cl2FN2O MolecularWeight: 405.292763

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(NC3=C(N2)C=CC(=C3)Cl)C4=C(C=CC=C4Cl)F)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(NC3=C(N2)C=CC(=C3)Cl)C4=C(C=CC=C4Cl)F)C(=O)C1)C

InChI

InChI=1S/C21H19Cl2FN2O/c1-21(2)9-16-19(17(27)10-21)20(18-12(23)4-3-5-13(18)24)26-15-8-11(22)6-7-14(15)25-16/h3-8,20,25-26H,9-10H2,1-2H3