3-(3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid

Systemtic Name: 3-(3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 3-[3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid CAS Name: 3-[3-(3-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid IUPAC Name: 3-(3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 3-[3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzoic acid Formula: C19H18N4O2 MolecularWeight: 334.37182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CN=CC=C4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CN=CC=C4)C1

InChI

InChI=1S/C19H18N4O2/c24-19(25)13-5-3-7-15(11-13)23-18-16(8-1-2-10-21-18)17(22-23)14-6-4-9-20-12-14/h3-7,9,11-12,22H,1-2,8,10H2,(H,24,25)