5-(2-fluorophenyl)-7-isocyanato-1,3-dimethyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(2-fluorophenyl)-7-isocyanato-1,3-dimethyl-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-fluorophenyl)-7-isocyanato-1,3-dimethyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-(2-fluorophenyl)-7-isocyanato-1,3-dimethyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-fluorophenyl)-7-isocyanato-1,3-dimethyl-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-fluorophenyl)-7-isocyanato-1,3-dimethyl-3H-1,4-benzodiazepin-2-one Formula: C18H14FN3O2 MolecularWeight: 323.321063

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(C=C(C=C2)N=C=O)C(=N1)C3=CC=CC=C3F)C

Isomeric SMILES

CC1C(=O)N(C2=C(C=C(C=C2)N=C=O)C(=N1)C3=CC=CC=C3F)C

InChI

InChI=1S/C18H14FN3O2/c1-11-18(24)22(2)16-8-7-12(20-10-23)9-14(16)17(21-11)13-5-3-4-6-15(13)19/h3-9,11H,1-2H3