4-naphthalen-1-ylcarbonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-8-carboxylic acid

Systemtic Name: 4-naphthalen-1-ylcarbonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-8-carboxylic acid Openeye Name: 4-(naphthalene-1-carbonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-8-carboxylic acid CAS Name: 4-[1-naphthalenyl(oxo)methyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine-8-carboxylic acid IUPAC Name: 4-(naphthalene-1-carbonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-8-carboxylic acid Traditional Name: 4-(1-naphthoyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-8-carboxylic acid Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C(N1)C=C(C=C2)C(=O)O)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC2=C(N1)C=C(C=C2)C(=O)O)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H18N2O3/c24-20(18-7-3-5-14-4-1-2-6-17(14)18)23-11-10-22-19-12-15(21(25)26)8-9-16(19)13-23/h1-9,12,22H,10-11,13H2,(H,25,26)