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1,2-benzodiazepin-6-one dihydrate trihydrochloride

1,2-benzodiazepin-6-one dihydrate trihydrochloride

Systemtic Name:1,2-benzodiazepin-6-one dihydrate trihydrochloride
Openeye Name:1,2-benzodiazepin-6-one dihydrate trihydrochloride
CAS Name:1,2-benzodiazepin-6-one dihydrate trihydrochloride
IUPAC Name:1,2-benzodiazepin-6-one dihydrate trihydrochloride
Traditional Name:1,2-benzodiazepin-6-one dihydrate trihydrochloride
Formula: C9H13Cl3N2O3
MolecularWeight: 303.57012
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C2=CC=CN=NC2=C1.O.O.Cl.Cl.Cl


Isomeric SMILES

C1=CC(=O)C2=CC=CN=NC2=C1.O.O.Cl.Cl.Cl


InChI

InChI=1S/C9H6N2O.3ClH.2H2O/c12-9-5-1-4-8-7(9)3-2-6-10-11-8;;;;;/h1-6H;3*1H;2*1H2


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