3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid

Systemtic Name: 3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Openeye Name: 3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid CAS Name: 3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid IUPAC Name: 3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Traditional Name: 3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3/c21-17-11-19-16-7-6-14(18(22)23)10-15(16)12-20(17)9-8-13-4-2-1-3-5-13/h1-7,10,19H,8-9,11-12H2,(H,22,23)