2-azanyl-1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-3-(1H-pyrazol-5-ylcarbonyl)adamantane-2-carboxylic acid

Systemtic Name: 2-azanyl-1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-3-(1H-pyrazol-5-ylcarbonyl)adamantane-2-carboxylic acid Openeye Name: 2-amino-1-(7-chloro-4-quinolyl)-5-(2,6-dimethoxyphenyl)-3-(1H-pyrazole-5-carbonyl)adamantane-2-carboxylic acid CAS Name: 2-amino-1-(7-chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-3-[oxo(1H-pyrazol-5-yl)methyl]-2-adamantanecarboxylic acid IUPAC Name: 2-amino-1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-3-(1H-pyrazole-5-carbonyl)adamantane-2-carboxylic acid Traditional Name: 2-amino-1-(7-chloro-4-quinolyl)-5-(2,6-dimethoxyphenyl)-3-(1H-pyrazole-5-carbonyl)adamantane-2-carboxylic acid Formula: C32H31ClN4O5 MolecularWeight: 587.06534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C23CC4CC(C2)(C(C(C4)(C3)C(=O)C5=CC=NN5)(C(=O)O)N)C6=C7C=CC(=CC7=NC=C6)Cl

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C23CC4CC(C2)(C(C(C4)(C3)C(=O)C5=CC=NN5)(C(=O)O)N)C6=C7C=CC(=CC7=NC=C6)Cl

InChI

InChI=1S/C32H31ClN4O5/c1-41-24-4-3-5-25(42-2)26(24)29-13-18-14-30(16-29,21-8-10-35-23-12-19(33)6-7-20(21)23)32(34,28(39)40)31(15-18,17-29)27(38)22-9-11-36-37-22/h3-12,18H,13-17,34H2,1-2H3,(H,36,37)(H,39,40)