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

Systemtic Name: 1-(2-cyclopentylethyl)-5-(2-fluorophenyl)-3-isocyanato-1,5-benzodiazepine-2,4-dione Openeye Name: 1-(2-cyclopentylethyl)-5-(2-fluorophenyl)-3-isocyanato-1,5-benzodiazepine-2,4-dione CAS Name: 1-(2-cyclopentylethyl)-5-(2-fluorophenyl)-3-isocyanato-1,5-benzodiazepine-2,4-dione IUPAC Name: 1-(2-cyclopentylethyl)-5-(2-fluorophenyl)-3-isocyanato-1,5-benzodiazepine-2,4-dione Traditional Name: 1-(2-cyclopentylethyl)-5-(2-fluorophenyl)-3-isocyanato-1,5-benzodiazepine-2,4-quinone Formula: C23H22FN3O3 MolecularWeight: 407.437483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCN2C3=CC=CC=C3N(C(=O)C(C2=O)N=C=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(C1)CCN2C3=CC=CC=C3N(C(=O)C(C2=O)N=C=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H22FN3O3/c24-17-9-3-4-10-18(17)27-20-12-6-5-11-19(20)26(14-13-16-7-1-2-8-16)22(29)21(23(27)30)25-15-28/h3-6,9-12,16,21H,1-2,7-8,13-14H2