6-(2-chlorophenyl)-2-[3-(diethylamino)propyl]-8-fluoranyl-3H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine-1,5-dione

Systemtic Name: 6-(2-chlorophenyl)-2-[3-(diethylamino)propyl]-8-fluoranyl-3H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine-1,5-dione Openeye Name: 6-(2-chlorophenyl)-2-[3-(diethylamino)propyl]-8-fluoro-3H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine-1,5-dione CAS Name: 6-(2-chlorophenyl)-2-[3-(diethylamino)propyl]-8-fluoro-3H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine-1,5-dione IUPAC Name: 6-(2-chlorophenyl)-2-[3-(diethylamino)propyl]-8-fluoro-3H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine-1,5-dione Traditional Name: 6-(2-chlorophenyl)-2-[3-(diethylamino)propyl]-8-fluoro-3H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine-1,5-quinone Formula: C23H25ClFN5O2 MolecularWeight: 457.928303

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(=O)N2C3=C(C=C(C=C3)F)N(C(=O)C=C2N1)C4=CC=CC=C4Cl

Isomeric SMILES

CCN(CC)CCCN1C(=O)N2C3=C(C=C(C=C3)F)N(C(=O)C=C2N1)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H25ClFN5O2/c1-3-27(4-2)12-7-13-28-23(32)30-19-11-10-16(25)14-20(19)29(22(31)15-21(30)26-28)18-9-6-5-8-17(18)24/h5-6,8-11,14-15,26H,3-4,7,12-13H2,1-2H3