2-[2-(1H-1,2-diazepin-7-yl)ethynyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

Systemtic Name: 2-[2-(1H-1,2-diazepin-7-yl)ethynyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid Openeye Name: 2-[2-(1H-diazepin-7-yl)ethynyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid CAS Name: 2-[2-(1H-diazepin-7-yl)ethynyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid IUPAC Name: 2-[2-(1H-diazepin-7-yl)ethynyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid Traditional Name: 2-[2-(1H-diazepin-7-yl)ethynyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCN(C1C#CC2=CC=CC=NN2)C(=O)O

Isomeric SMILES

C1C=CCN(C1C#CC2=CC=CC=NN2)C(=O)O

InChI

InChI=1S/C13H13N3O2/c17-13(18)16-10-4-2-6-12(16)8-7-11-5-1-3-9-14-15-11/h1-5,9,12,15H,6,10H2,(H,17,18)