6-chloranyl-5-(2-fluorophenyl)-7-isocyanato-1,3,3-trimethyl-1,4-benzodiazepin-2-one

Systemtic Name: 6-chloranyl-5-(2-fluorophenyl)-7-isocyanato-1,3,3-trimethyl-1,4-benzodiazepin-2-one Openeye Name: 6-chloro-5-(2-fluorophenyl)-7-isocyanato-1,3,3-trimethyl-1,4-benzodiazepin-2-one CAS Name: 6-chloro-5-(2-fluorophenyl)-7-isocyanato-1,3,3-trimethyl-1,4-benzodiazepin-2-one IUPAC Name: 6-chloro-5-(2-fluorophenyl)-7-isocyanato-1,3,3-trimethyl-1,4-benzodiazepin-2-one Traditional Name: 6-chloro-5-(2-fluorophenyl)-7-isocyanato-1,3,3-trimethyl-1,4-benzodiazepin-2-one Formula: C19H15ClFN3O2 MolecularWeight: 371.792703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(C(=C(C=C2)N=C=O)Cl)C(=N1)C3=CC=CC=C3F)C)C

Isomeric SMILES

CC1(C(=O)N(C2=C(C(=C(C=C2)N=C=O)Cl)C(=N1)C3=CC=CC=C3F)C)C

InChI

InChI=1S/C19H15ClFN3O2/c1-19(2)18(26)24(3)14-9-8-13(22-10-25)16(20)15(14)17(23-19)11-6-4-5-7-12(11)21/h4-9H,1-3H3