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

Systemtic Name: 4-(3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 4-[3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid CAS Name: 4-(3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid IUPAC Name: 4-(3-pentan-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 4-[3-(1-ethylpropyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzoic acid Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC(CC)C1=C2CCCCN=C2N(N1)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H25N3O2/c1-3-13(4-2)17-16-7-5-6-12-20-18(16)22(21-17)15-10-8-14(9-11-15)19(23)24/h8-11,13,21H,3-7,12H2,1-2H3,(H,23,24)