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

Systemtic Name: 3-(3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 3-(3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid CAS Name: 3-(3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid IUPAC Name: 3-(3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 3-(3-tert-butyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl)benzoic acid Formula: C18H23N3O2 MolecularWeight: 313.39412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2CCCCN=C2N(N1)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C2CCCCN=C2N(N1)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H23N3O2/c1-18(2,3)15-14-9-4-5-10-19-16(14)21(20-15)13-8-6-7-12(11-13)17(22)23/h6-8,11,20H,4-5,9-10H2,1-3H3,(H,22,23)