4-phenyl-1,2,3,3a-tetrahydrocyclopenta[b][1,5]benzodiazepine; sulfuric acid

Systemtic Name: 4-phenyl-1,2,3,3a-tetrahydrocyclopenta[b][1,5]benzodiazepine; sulfuric acid Openeye Name: 4-phenyl-1,2,3,3a-tetrahydrocyclopenta[b][1,5]benzodiazepine; sulfuric acid CAS Name: 4-phenyl-1,2,3,3a-tetrahydrocyclopenta[b][1,5]benzodiazepine; sulfuric acid IUPAC Name: 4-phenyl-1,2,3,3a-tetrahydrocyclopenta[b][1,5]benzodiazepine; sulfuric acid Traditional Name: 4-phenyl-1,2,3,3a-tetrahydrocyclopenta[b][1,5]benzodiazepine; sulfuric acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=NC3=CC=CC=C3N=C2C4=CC=CC=C4)C1.OS(=O)(=O)O

Isomeric SMILES

C1CC2C(=NC3=CC=CC=C3N=C2C4=CC=CC=C4)C1.OS(=O)(=O)O

InChI

InChI=1S/C18H16N2.H2O4S/c1-2-7-13(8-3-1)18-14-9-6-12-15(14)19-16-10-4-5-11-17(16)20-18;1-5(2,3)4/h1-5,7-8,10-11,14H,6,9,12H2;(H2,1,2,3,4)