2-tert-butyl-5,6-dihydropyrazolo[1,5-a][1,3]benzodiazepine-4-carboxylic acid

Systemtic Name: 2-tert-butyl-5,6-dihydropyrazolo[1,5-a][1,3]benzodiazepine-4-carboxylic acid Openeye Name: 2-tert-butyl-5,6-dihydropyrazolo[1,5-a][1,3]benzodiazepine-4-carboxylic acid CAS Name: 2-tert-butyl-5,6-dihydropyrazolo[1,5-a][1,3]benzodiazepine-4-carboxylic acid IUPAC Name: 2-tert-butyl-5,6-dihydropyrazolo[1,5-a][1,3]benzodiazepine-4-carboxylic acid Traditional Name: 2-tert-butyl-5,6-dihydropyrazolo[1,5-a][1,3]benzodiazepine-4-carboxylic acid Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN2C3=CC=CC=C3CCN(C2=C1)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NN2C3=CC=CC=C3CCN(C2=C1)C(=O)O

InChI

InChI=1S/C16H19N3O2/c1-16(2,3)13-10-14-18(15(20)21)9-8-11-6-4-5-7-12(11)19(14)17-13/h4-7,10H,8-9H2,1-3H3,(H,20,21)