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

Systemtic Name: methyl 4-oxidanylidene-5-(2-pyridin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate Openeye Name: methyl 4-oxo-5-[2-(4-pyridyl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate CAS Name: 4-oxo-5-(2-pyridin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-5-(2-pyridin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate Traditional Name: 4-keto-5-[2-(4-pyridyl)ethyl]-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid methyl ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN2CCCN(C(=O)C2=C1)CCC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=NN2CCCN(C(=O)C2=C1)CCC3=CC=NC=C3

InChI

InChI=1S/C16H18N4O3/c1-23-16(22)13-11-14-15(21)19(8-2-9-20(14)18-13)10-5-12-3-6-17-7-4-12/h3-4,6-7,11H,2,5,8-10H2,1H3