4-oxidanylidene-5-(2-pyridin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

Systemtic Name: 4-oxidanylidene-5-(2-pyridin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid Openeye Name: 4-oxo-5-[2-(4-pyridyl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid CAS Name: 4-oxo-5-(2-pyridin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid IUPAC Name: 4-oxo-5-(2-pyridin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid Traditional Name: 4-keto-5-[2-(4-pyridyl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=CC(=NN2C1)C(=O)O)CCC3=CC=NC=C3

Isomeric SMILES

C1CN(C(=O)C2=CC(=NN2C1)C(=O)O)CCC3=CC=NC=C3

InChI

InChI=1S/C15H16N4O3/c20-14-13-10-12(15(21)22)17-19(13)8-1-7-18(14)9-4-11-2-5-16-6-3-11/h2-3,5-6,10H,1,4,7-9H2,(H,21,22)