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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(C(=C(C=C2)N=C=O)Cl)C(=N1)C3=CC=CC=C3F)C

Isomeric SMILES

CCC1C(=O)N(C2=C(C(=C(C=C2)N=C=O)Cl)C(=N1)C3=CC=CC=C3F)C

InChI

InChI=1S/C19H15ClFN3O2/c1-3-13-19(26)24(2)15-9-8-14(22-10-25)17(20)16(15)18(23-13)11-6-4-5-7-12(11)21/h4-9,13H,3H2,1-2H3