ethyl 2-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate

Systemtic Name: ethyl 2-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate Openeye Name: ethyl 2-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate CAS Name: 2-methyl-5-[(E)-1-oxo-3-phenylprop-2-enyl]-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate Traditional Name: 2-methyl-4-phenyl-5-[(E)-3-phenylacryloyl]-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(N(C2=CC=CC=C2N1)C(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1(CC(N(C2=CC=CC=C2N1)C(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

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+