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

Systemtic Name: 3-(3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 3-(3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid CAS Name: 3-(3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid IUPAC Name: 3-(3-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 3-(3-propyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl)benzoic acid Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCN=C2N(N1)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCC1=C2CCCCN=C2N(N1)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H21N3O2/c1-2-6-15-14-9-3-4-10-18-16(14)20(19-15)13-8-5-7-12(11-13)17(21)22/h5,7-8,11,19H,2-4,6,9-10H2,1H3,(H,21,22)