7-chloranyl-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine; ethanedioic acid

Systemtic Name: 7-chloranyl-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine; ethanedioic acid Openeye Name: 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine; oxalic acid CAS Name: 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine; oxalic acid IUPAC Name: 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine; oxalic acid Traditional Name: 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine; oxalic acid Formula: C18H17ClN2O4 MolecularWeight: 360.79158

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H15ClN2.C2H2O4/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19;3-1(4)2(5)6/h2-8,11H,9-10H2,1H3;(H,3,4)(H,5,6)