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

Systemtic Name: 4-(3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 4-(3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid CAS Name: 4-(3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid IUPAC Name: 4-(3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 4-(3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl)benzoic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C(=O)O)C4CCC4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C(=O)O)C4CCC4)C1

InChI

InChI=1S/C18H21N3O2/c22-18(23)13-7-9-14(10-8-13)21-17-15(6-1-2-11-19-17)16(20-21)12-4-3-5-12/h7-10,12,20H,1-6,11H2,(H,22,23)