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

Systemtic Name: ethyl 4-methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 4-methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carboxylate CAS Name: 4-methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 4-methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(NC2=CC=CC=C2N1)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1(CC(NC2=CC=CC=C2N1)C3=CC=CC=C3)C

InChI

InChI=1S/C19H22N2O2/c1-3-23-18(22)19(2)13-17(14-9-5-4-6-10-14)20-15-11-7-8-12-16(15)21-19/h4-12,17,20-21H,3,13H2,1-2H3