methyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate

Systemtic Name: methyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate Openeye Name: methyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate CAS Name: 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate Traditional Name: 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylic acid methyl ester Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(NC2=CC=CC=C2N1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC(NC2=CC=CC=C2N1)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2O2/c1-21-17(20)16-11-15(12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-16/h2-10,15-16,18-19H,11H2,1H3