3-[3-(1-adamantyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[3-(1-adamantyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-(1-adamantyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 3-[3-(1-adamantyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 3-[3-(1-adamantyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 3-[3-(1-adamantyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NN2C3=CC=CC(=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN=C2C1=C(NN2C3=CC=CC(=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H25N3O2/c26-21(27)16-2-1-3-17(9-16)25-20-18(4-5-23-20)19(24-25)22-10-13-6-14(11-22)8-15(7-13)12-22/h1-3,9,13-15,24H,4-8,10-12H2,(H,26,27)