diethyl 2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2,5-dicarboxylate CAS Name: 2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2,5-dicarboxylate Traditional Name: 2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2,5-dicarboxylic acid diethyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(N(C2=CC=CC=C2N1)C(=O)OCC)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1(CC(N(C2=CC=CC=C2N1)C(=O)OCC)C3=CC=CC=C3)C

InChI

InChI=1S/C22H26N2O4/c1-4-27-20(25)22(3)15-19(16-11-7-6-8-12-16)24(21(26)28-5-2)18-14-10-9-13-17(18)23-22/h6-14,19,23H,4-5,15H2,1-3H3