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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylcarbonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carboxylic acid Openeye Name: 1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carboxylic acid CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-[1-naphthalenyl(oxo)methyl]-3,5-dihydro-2H-1,4-benzodiazepine-7-carboxylic acid IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carboxylic acid Traditional Name: 1-(1H-imidazol-5-ylmethyl)-4-(1-naphthoyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carboxylic acid Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C3=CC=CC4=CC=CC=C43)C=C(C=C2)C(=O)O)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=CC=CC4=CC=CC=C43)C=C(C=C2)C(=O)O)CC5=CN=CN5

InChI

InChI=1S/C25H22N4O3/c30-24(22-7-3-5-17-4-1-2-6-21(17)22)29-11-10-28(15-20-13-26-16-27-20)23-9-8-18(25(31)32)12-19(23)14-29/h1-9,12-13,16H,10-11,14-15H2,(H,26,27)(H,31,32)