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

Systemtic Name: 3-(3-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 3-(3-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid CAS Name: 3-(3-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid IUPAC Name: 3-(3-butyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 3-(3-butyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl)benzoic acid Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCN=C2N(N1)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCCC1=C2CCCCN=C2N(N1)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H23N3O2/c1-2-3-10-16-15-9-4-5-11-19-17(15)21(20-16)14-8-6-7-13(12-14)18(22)23/h6-8,12,20H,2-5,9-11H2,1H3,(H,22,23)