4-pyridin-4-yl-1H-1,5-benzodiazepine-2-carboxylate

Systemtic Name: 4-pyridin-4-yl-1H-1,5-benzodiazepine-2-carboxylate Openeye Name: 4-(4-pyridyl)-1H-1,5-benzodiazepine-2-carboxylate CAS Name: 4-pyridin-4-yl-1H-1,5-benzodiazepine-2-carboxylate IUPAC Name: 4-pyridin-4-yl-1H-1,5-benzodiazepine-2-carboxylate Traditional Name: 4-(4-pyridyl)-1H-1,5-benzodiazepine-2-carboxylate Formula: C15H10N3O2- MolecularWeight: 264.2588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=CC(=N2)C3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=CC(=N2)C3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C15H11N3O2/c19-15(20)14-9-13(10-5-7-16-8-6-10)17-11-3-1-2-4-12(11)18-14/h1-9,18H,(H,19,20)/p-1