Ethyl 4-Methyl-2-Phenyl-1-[(E)-3-Phenylprop-2-Enoyl]-3,5-Dihydro-2H-1,5-Benzodiazepine-4-Carboxylate
[CAS# 144401-01-4]

Identification

• Name: Ethyl 4-Methyl-2-Phenyl-1-[(E)-3-Phenylprop-2-Enoyl]-3,5-Dihydro-2H-1,5-Benzodiazepine-4-Carboxylate
• Synonyms: 4-Methyl-1-[(E)-1-Oxo-3-Phenylprop-2-Enyl]-2-Phenyl-3,5-Dihydro-2H-1,5-Benzodiazepine-4-Carboxylic Acid Ethyl Ester; 4-Methyl-2-Phenyl-1-[(E)-3-Phenylacryloyl]-3,5-Dihydro-2H-1,5-Benzodiazepine-4-Carboxylic Acid Ethyl Ester; 1H-1,5-Benzodiazepine-2-Carboxylic Acid, 2,3,4,5-Tetrahydro-2-Methyl-5-(1-Oxo-3-Phenyl-2-Propentyl)-4-Phenyl-, Ethyl Ester
• Molecular Formula: C₂₈H₂₈N₂O₃
• Molecular Weight: 440.54
• CAS Registry Number: 144401-01-4
• SMILES: C1=CC=CC2=C1N(C(CC(N2)(C(OCC)=O)C)C3=CC=CC=C3)C(=O)\C=C\C4=CC=CC=C4
• InChI: 1S/C28H28N2O3/c1-3-33-27(32)28(2)20-25(22-14-8-5-9-15-22)30(24-17-11-10-16-23(24)29-28)26(31)19-18-21-12-6-4-7-13-21/h4-19,25,29H,3,20H2,1-2H3/b19-18+
• InChIKey: QBKZGEPHBARBRF-VHEBQXMUSA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 583.357°C at 760 mmHg (Cal.)
• Flash point: 306.603°C (Cal.)