8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepine hydrate

Systemtic Name: 8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepine hydrate Openeye Name: 8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepine hydrate CAS Name: 8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepine hydrate IUPAC Name: 8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepine hydrate Traditional Name: 8,9,10,11-tetrahydro-7H-benzo[b][1,4]benzodiazepine hydrate Formula: C13H16N2O MolecularWeight: 216.27894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=NC3=CC=CC=C3N2.O

Isomeric SMILES

C1CCC2=C(C1)C=NC3=CC=CC=C3N2.O

InChI

InChI=1S/C13H14N2.H2O/c1-2-6-11-10(5-1)9-14-12-7-3-4-8-13(12)15-11;/h3-4,7-9,15H,1-2,5-6H2;1H2