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

Systemtic Name: 3-(3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 3-[3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid CAS Name: 3-(3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid IUPAC Name: 3-(3-thiophen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 3-[3-(2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzoic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CC=CS4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CC=CS4)C1

InChI

InChI=1S/C18H17N3O2S/c22-18(23)12-5-3-6-13(11-12)21-17-14(7-1-2-9-19-17)16(20-21)15-8-4-10-24-15/h3-6,8,10-11,20H,1-2,7,9H2,(H,22,23)