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

Systemtic Name: 4-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 4-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid CAS Name: 4-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid IUPAC Name: 4-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 4-(3-ethyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl)benzoic acid Formula: C16H19N3O2 MolecularWeight: 285.34096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H19N3O2/c1-2-14-13-5-3-4-10-17-15(13)19(18-14)12-8-6-11(7-9-12)16(20)21/h6-9,18H,2-5,10H2,1H3,(H,20,21)