6,8-bis(chloranyl)-5-(2-fluorophenyl)-7-isocyanato-1-methyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 6,8-bis(chloranyl)-5-(2-fluorophenyl)-7-isocyanato-1-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 6,8-dichloro-5-(2-fluorophenyl)-7-isocyanato-1-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 6,8-dichloro-5-(2-fluorophenyl)-7-isocyanato-1-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 6,8-dichloro-5-(2-fluorophenyl)-7-isocyanato-1-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 6,8-dichloro-5-(2-fluorophenyl)-7-isocyanato-1-methyl-3H-1,4-benzodiazepin-2-one Formula: C17H10Cl2FN3O2 MolecularWeight: 378.184603

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C(C(=C(C=C21)Cl)N=C=O)Cl)C3=CC=CC=C3F

Isomeric SMILES

CN1C(=O)CN=C(C2=C(C(=C(C=C21)Cl)N=C=O)Cl)C3=CC=CC=C3F

InChI

InChI=1S/C17H10Cl2FN3O2/c1-23-12-6-10(18)17(22-8-24)15(19)14(12)16(21-7-13(23)25)9-4-2-3-5-11(9)20/h2-6H,7H2,1H3