2-[[1-[4-[3-(diethylamino)pyrrolidin-1-yl]carbonyl-2-propan-2-yl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid

Systemtic Name: 2-[[1-[4-[3-(diethylamino)pyrrolidin-1-yl]carbonyl-2-propan-2-yl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid Openeye Name: 2-[[1-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]-2-isopropyl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid CAS Name: 2-[[[1-[4-[[3-(diethylamino)-1-pyrrolidinyl]-oxomethyl]-2-propan-2-ylphenyl]-5-(2,6-dimethoxyphenyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid IUPAC Name: 2-[[1-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]-2-propan-2-ylphenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Traditional Name: 2-[[1-[4-[3-(diethylamino)pyrrolidine-1-carbonyl]-2-isopropyl-phenyl]-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid Formula: C41H53N5O6 MolecularWeight: 711.88942

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CCN(C1)C(=O)C2=CC(=C(C=C2)N3C(=CC(=N3)C(=O)NC4(C5CC6CC(C5)CC4C6)C(=O)O)C7=C(C=CC=C7OC)OC)C(C)C

Isomeric SMILES

CCN(CC)C1CCN(C1)C(=O)C2=CC(=C(C=C2)N3C(=CC(=N3)C(=O)NC4(C5CC6CC(C5)CC4C6)C(=O)O)C7=C(C=CC=C7OC)OC)C(C)C

InChI

InChI=1S/C41H53N5O6/c1-7-44(8-2)30-14-15-45(23-30)39(48)27-12-13-33(31(21-27)24(3)4)46-34(37-35(51-5)10-9-11-36(37)52-6)22-32(43-46)38(47)42-41(40(49)50)28-17-25-16-26(19-28)20-29(41)18-25/h9-13,21-22,24-26,28-30H,7-8,14-20,23H2,1-6H3,(H,42,47)(H,49,50)