5-(2-fluorophenyl)-3-isocyanato-1-(3-methylbutyl)-1,5-benzodiazepine-2,4-dione

Systemtic Name: 5-(2-fluorophenyl)-3-isocyanato-1-(3-methylbutyl)-1,5-benzodiazepine-2,4-dione Openeye Name: 5-(2-fluorophenyl)-3-isocyanato-1-isopentyl-1,5-benzodiazepine-2,4-dione CAS Name: 5-(2-fluorophenyl)-3-isocyanato-1-(3-methylbutyl)-1,5-benzodiazepine-2,4-dione IUPAC Name: 5-(2-fluorophenyl)-3-isocyanato-1-(3-methylbutyl)-1,5-benzodiazepine-2,4-dione Traditional Name: 5-(2-fluorophenyl)-1-isoamyl-3-isocyanato-1,5-benzodiazepine-2,4-quinone Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N(C(=O)C(C1=O)N=C=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N(C(=O)C(C1=O)N=C=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H20FN3O3/c1-14(2)11-12-24-17-9-5-6-10-18(17)25(16-8-4-3-7-15(16)22)21(28)19(20(24)27)23-13-26/h3-10,14,19H,11-12H2,1-2H3