2,4,8-trimethyl-1H-1,5-benzodiazepine dihydrate

Systemtic Name: 2,4,8-trimethyl-1H-1,5-benzodiazepine dihydrate Openeye Name: 2,4,8-trimethyl-1H-1,5-benzodiazepine dihydrate CAS Name: 2,4,8-trimethyl-1H-1,5-benzodiazepine dihydrate IUPAC Name: 2,4,8-trimethyl-1H-1,5-benzodiazepine dihydrate Traditional Name: 2,4,8-trimethyl-1H-1,5-benzodiazepine dihydrate Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C(N2)C)C.O.O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C(N2)C)C.O.O

InChI

InChI=1S/C12H14N2.2H2O/c1-8-4-5-11-12(6-8)14-10(3)7-9(2)13-11;;/h4-7,14H,1-3H3;2*1H2