1-[8-chloranyl-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]-N-methyl-methanamine dihydrate hydrochloride

Systemtic Name: 1-[8-chloranyl-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]-N-methyl-methanamine dihydrate hydrochloride Openeye Name: 1-[8-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]-N-methyl-methanamine dihydrate hydrochloride CAS Name: 1-[8-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]-N-methylmethanamine dihydrate hydrochloride IUPAC Name: 1-[8-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]-N-methylmethanamine dihydrate hydrochloride Traditional Name: [8-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]methyl-methyl-amine dihydrate hydrochloride Formula: C18H20Cl2FN5O2 MolecularWeight: 428.288103

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=NN2C(=N1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F.O.O.Cl

Isomeric SMILES

CNCC1=NN2C(=N1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F.O.O.Cl

InChI

InChI=1S/C18H15ClFN5.ClH.2H2O/c1-21-9-16-23-17-10-22-18(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)25(17)24-16;;;/h2-8,21H,9-10H2,1H3;1H;2*1H2