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

Systemtic Name: 3-(3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 3-[3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid CAS Name: 3-(3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid IUPAC Name: 3-(3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 3-[3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzoic acid Formula: C19H25N3O2 MolecularWeight: 327.4207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2/c1-3-13(4-2)17-16-10-5-6-11-20-18(16)22(21-17)15-9-7-8-14(12-15)19(23)24/h7-9,12-13,21H,3-6,10-11H2,1-2H3,(H,23,24)