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

Systemtic Name: 3-(3-naphthalen-1-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 3-[3-(1-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid CAS Name: 3-[3-(1-naphthalenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid IUPAC Name: 3-(3-naphthalen-1-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 3-[3-(1-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzoic acid Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CC=CC5=CC=CC=C54)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CC=CC5=CC=CC=C54)C1

InChI

InChI=1S/C24H21N3O2/c28-24(29)17-9-5-10-18(15-17)27-23-21(12-3-4-14-25-23)22(26-27)20-13-6-8-16-7-1-2-11-19(16)20/h1-2,5-11,13,15,26H,3-4,12,14H2,(H,28,29)