2-[[5-(1,1-dimethoxyethyl)-1-isoquinolin-5-yl-pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid

Systemtic Name: 2-[[5-(1,1-dimethoxyethyl)-1-isoquinolin-5-yl-pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-[[5-(1,1-dimethoxyethyl)-1-(5-isoquinolyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-[[[5-(1,1-dimethoxyethyl)-1-(5-isoquinolinyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-[[5-(1,1-dimethoxyethyl)-1-isoquinolin-5-ylpyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-[[5-(1,1-dimethoxyethyl)-1-(5-isoquinolyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Formula: C28H32N4O5 MolecularWeight: 504.57748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=NN1C2=CC=CC3=C2C=CN=C3)C(=O)NC4(C5CC6CC(C5)CC4C6)C(=O)O)(OC)OC

Isomeric SMILES

CC(C1=CC(=NN1C2=CC=CC3=C2C=CN=C3)C(=O)NC4(C5CC6CC(C5)CC4C6)C(=O)O)(OC)OC

InChI

InChI=1S/C28H32N4O5/c1-27(36-2,37-3)24-14-22(31-32(24)23-6-4-5-18-15-29-8-7-21(18)23)25(33)30-28(26(34)35)19-10-16-9-17(12-19)13-20(28)11-16/h4-8,14-17,19-20H,9-13H2,1-3H3,(H,30,33)(H,34,35)