ethyl 1,5-bis(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 1,5-bis(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 3-benzyl-1,5-bis(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine-4-carboxylate CAS Name: 1,5-bis(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1,5-bis(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine-4-carboxylate Traditional Name: 3-benzyl-1,5-bis(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C27H30N6O2 MolecularWeight: 470.5661

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CN(C2=CC=CC=C2N1CC3=CN=CN3)CC4=CN=CN4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1C(CN(C2=CC=CC=C2N1CC3=CN=CN3)CC4=CN=CN4)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N6O2/c1-2-35-27(34)26-21(12-20-8-4-3-5-9-20)15-32(16-22-13-28-18-30-22)24-10-6-7-11-25(24)33(26)17-23-14-29-19-31-23/h3-11,13-14,18-19,21,26H,2,12,15-17H2,1H3,(H,28,30)(H,29,31)