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

Systemtic Name: 6-chloranyl-5-(2-fluorophenyl)-7-isocyanato-1-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 6-chloro-5-(2-fluorophenyl)-7-isocyanato-1-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 6-chloro-5-(2-fluorophenyl)-7-isocyanato-1-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 6-chloro-5-(2-fluorophenyl)-7-isocyanato-1-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 6-chloro-5-(2-fluorophenyl)-7-isocyanato-1-methyl-3H-1,4-benzodiazepin-2-one Formula: C17H11ClFN3O2 MolecularWeight: 343.739543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2Cl)N=C=O)C3=CC=CC=C3F

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2Cl)N=C=O)C3=CC=CC=C3F

InChI

InChI=1S/C17H11ClFN3O2/c1-22-13-7-6-12(21-9-23)16(18)15(13)17(20-8-14(22)24)10-4-2-3-5-11(10)19/h2-7H,8H2,1H3