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

Systemtic Name: 3-(3-cyclopentyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 3-(3-cyclopentyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid CAS Name: 3-(3-cyclopentyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid IUPAC Name: 3-(3-cyclopentyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 3-(3-cyclopentyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl)benzoic acid Formula: C19H23N3O2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C3CCCCN=C3N(N2)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CCC(C1)C2=C3CCCCN=C3N(N2)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H23N3O2/c23-19(24)14-8-5-9-15(12-14)22-18-16(10-3-4-11-20-18)17(21-22)13-6-1-2-7-13/h5,8-9,12-13,21H,1-4,6-7,10-11H2,(H,23,24)