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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid Openeye Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid CAS Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid Traditional Name: 1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)O)C=C(C=C2)C3=CC=CC=C3)CC4=CN=CN4

Isomeric SMILES

C1CN(C2=C(CN1C(=O)O)C=C(C=C2)C3=CC=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C20H20N4O2/c25-20(26)24-9-8-23(13-18-11-21-14-22-18)19-7-6-16(10-17(19)12-24)15-4-2-1-3-5-15/h1-7,10-11,14H,8-9,12-13H2,(H,21,22)(H,25,26)