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

Systemtic Name: 1,5-bis(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine-4-carboxylic acid Openeye Name: 3-benzyl-1,5-bis(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine-4-carboxylic acid CAS Name: 1,5-bis(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine-4-carboxylic acid IUPAC Name: 3-benzyl-1,5-bis(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine-4-carboxylic acid Traditional Name: 3-benzyl-1,5-bis(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzodiazepine-4-carboxylic acid Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6O2/c32-25(33)24-19(10-18-6-2-1-3-7-18)13-30(14-20-11-26-16-28-20)22-8-4-5-9-23(22)31(24)15-21-12-27-17-29-21/h1-9,11-12,16-17,19,24H,10,13-15H2,(H,26,28)(H,27,29)(H,32,33)