(phenylmethyl) 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: (phenylmethyl) 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: benzyl 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid benzyl ester Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)OCC3=CC=CC=C3)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=C(CN1C(=O)OCC3=CC=CC=C3)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C27H26N4O2/c32-27(33-19-21-7-3-1-4-8-21)31-14-13-30(18-25-16-28-20-29-25)26-12-11-23(15-24(26)17-31)22-9-5-2-6-10-22/h1-12,15-16,20H,13-14,17-19H2,(H,28,29)