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

Systemtic Name: 3-(3-cyclohexyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 3-(3-cyclohexyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid CAS Name: 3-(3-cyclohexyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid IUPAC Name: 3-(3-cyclohexyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 3-(3-cyclohexyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl)benzoic acid Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3CCCCN=C3N(N2)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=C3CCCCN=C3N(N2)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C20H25N3O2/c24-20(25)15-9-6-10-16(13-15)23-19-17(11-4-5-12-21-19)18(22-23)14-7-2-1-3-8-14/h6,9-10,13-14,22H,1-5,7-8,11-12H2,(H,24,25)