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

Systemtic Name: 3-(3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Openeye Name: 3-(3-isopropyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid CAS Name: 3-(3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid IUPAC Name: 3-(3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl)benzoic acid Traditional Name: 3-(3-isopropyl-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:

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

Isomeric SMILES

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

InChI

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