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

Systemtic Name: 6-(4-chloranyl-3-fluoranyl-phenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(4-chloro-3-fluoro-phenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(4-chloro-3-fluorophenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(4-chloro-3-fluorophenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(4-chloro-3-fluoro-phenyl)-2,3,9,9-tetramethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C23H24ClFN2O MolecularWeight: 398.900863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C=C4)Cl)F)C(=O)CC(C3)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)NC3=C(C(N2)C4=CC(=C(C=C4)Cl)F)C(=O)CC(C3)(C)C

InChI

InChI=1S/C23H24ClFN2O/c1-12-7-17-18(8-13(12)2)27-22(14-5-6-15(24)16(25)9-14)21-19(26-17)10-23(3,4)11-20(21)28/h5-9,22,26-27H,10-11H2,1-4H3