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

Systemtic Name: 3-[3-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid Openeye Name: 3-[3-(5-methyl-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid CAS Name: 3-[3-(5-methyl-2-thiophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid IUPAC Name: 3-[3-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid Traditional Name: 3-[3-(5-methyl-2-thienyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzoic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=C3CCCCN=C3N(N2)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C2=C3CCCCN=C3N(N2)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H19N3O2S/c1-12-8-9-16(25-12)17-15-7-2-3-10-20-18(15)22(21-17)14-6-4-5-13(11-14)19(23)24/h4-6,8-9,11,21H,2-3,7,10H2,1H3,(H,23,24)