Product OPENEYE NAME: N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-6-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]-1,3-benzothiazole-2-carboxamide
CAS Name: N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-6-[[1-[4-(trifluoromethyl)phenyl]-4-piperidinyl]oxy]-1,3-benzothiazole-2-carboxamide
IUPAC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-benzothiazole-2-carboxamide
SYSTEMATIC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-benzothiazole-2-carboxamide
MOLECULAR FORMULA: C33H32F3N5O2S
MOLECULAR WEIGHT: 619.69969
SMILES: C1CN(CCC1NC(=O)C2=NC3=C(S2)C=C(C=C3)OC4CCN(CC4)C5=CC=C(C=C5)C(F)(F)F)CC6=CC=C(C=C6)C#N
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Product OPENEYE NAME: N-[1-(4-pyridylmethyl)-4-piperidyl]-7-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide
CAS Name: N-[1-(pyridin-4-ylmethyl)-4-piperidinyl]-7-[[1-[4-(trifluoromethyl)phenyl]-4-piperidinyl]oxy]-2-imidazo[1,2-a]pyridinecarboxamide
IUPAC NAME: N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-7-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide
SYSTEMATIC NAME: N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-7-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-imidazo[1,2-a]pyridine-2-carboxamide
MOLECULAR FORMULA: C31H33F3N6O2
MOLECULAR WEIGHT: 578.62793
SMILES: C1CN(CCC1NC(=O)C2=CN3C=CC(=CC3=N2)OC4CCN(CC4)C5=CC=C(C=C5)C(F)(F)F)CC6=CC=NC=C6
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Product OPENEYE NAME: N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-7-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide
CAS Name: N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-7-[[1-[4-(trifluoromethyl)phenyl]-4-piperidinyl]oxy]-2-imidazo[1,2-a]pyridinecarboxamide
IUPAC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-7-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide
SYSTEMATIC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-7-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-imidazo[1,2-a]pyridine-2-carboxamide
MOLECULAR FORMULA: C33H33F3N6O2
MOLECULAR WEIGHT: 602.64933
SMILES: C1CN(CCC1NC(=O)C2=CN3C=CC(=CC3=N2)OC4CCN(CC4)C5=CC=C(C=C5)C(F)(F)F)CC6=CC=C(C=C6)C#N
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Product OPENEYE NAME: 2-[6-tert-butyl-5-formamido-2-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]-2H-pyrazin-1-yl]piperidine-1-carboxylic acid
CAS Name: 2-[6-tert-butyl-5-formamido-2-[[1-[4-(trifluoromethyl)phenyl]-4-piperidinyl]oxy]-2H-pyrazin-1-yl]-1-piperidinecarboxylic acid
IUPAC NAME: 2-[6-tert-butyl-5-formamido-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2H-pyrazin-1-yl]piperidine-1-carboxylic acid
SYSTEMATIC NAME: 2-[6-tert-butyl-5-formamido-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2H-pyrazin-1-yl]piperidine-1-carboxylic acid
MOLECULAR FORMULA: C27H36F3N5O4
MOLECULAR WEIGHT: 551.60105
SMILES: CC(C)(C)C1=C(N=CC(N1C2CCCCN2C(=O)O)OC3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F)NC=O
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Product OPENEYE NAME: N-(4-piperidyl)-5-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]pyrazine-2-carboxamide
CAS Name: N-(4-piperidinyl)-5-[[1-[4-(trifluoromethyl)phenyl]-4-piperidinyl]oxy]-2-pyrazinecarboxamide
IUPAC NAME: N-piperidin-4-yl-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyrazine-2-carboxamide
SYSTEMATIC NAME: N-piperidin-4-yl-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-pyrazine-2-carboxamide
MOLECULAR FORMULA: C22H26F3N5O2
MOLECULAR WEIGHT: 449.46935
SMILES: C1CNCCC1NC(=O)C2=CN=C(C=N2)OC3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; sulfuric acid
CAS Name: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; sulfuric acid
IUPAC NAME: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; sulfuric acid
SYSTEMATIC NAME: 4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenol; sulfuric acid
MOLECULAR FORMULA: C32H52N2O8S
MOLECULAR WEIGHT: 624.82888
SMILES: CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.OS(=O)(=O)O
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Product OPENEYE NAME: N-(2-aminophenyl)-6-[2-[(2-fluoren-9-ylideneacetyl)amino]ethylamino]pyridine-3-carboxamide
CAS Name: N-(2-aminophenyl)-6-[2-[[2-(9-fluorenylidene)-1-oxoethyl]amino]ethylamino]-3-pyridinecarboxamide
IUPAC NAME: N-(2-aminophenyl)-6-[2-[(2-fluoren-9-ylideneacetyl)amino]ethylamino]pyridine-3-carboxamide
SYSTEMATIC NAME: N-(2-aminophenyl)-6-[2-(2-fluoren-9-ylideneethanoylamino)ethylamino]pyridine-3-carboxamide
MOLECULAR FORMULA: C29H25N5O2
MOLECULAR WEIGHT: 475.5411
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC(=O)NCCNC4=NC=C(C=C4)C(=O)NC5=CC=CC=C5N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H60O13
MOLECULAR WEIGHT: 724.8752
SMILES: CCCCCCCC(=O)O[C@H]1C(=CC2C[C@@H](OC(=O)C[C@@H](C[C@@H]3CCC[C@@H](O3)C[C@@H]4CCO[C@@H](O4)/C=C/C(C1(O2)O)(C)C)O)C(C)O)C(=O)OC
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Product OPENEYE NAME: N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide
CAS Name: N-[2,4-difluoro-3-[oxo(7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]phenyl]-1-propanesulfonamide
IUPAC NAME: N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]propane-1-sulfonamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)-3-(7H-pyrrolo[2,3-d]pyrimidin-5-ylcarbonyl)phenyl]propane-1-sulfonamide
MOLECULAR FORMULA: C16H14F2N4O3S
MOLECULAR WEIGHT: 380.369166
SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=NC=C23)F
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Product OPENEYE NAME: 3,5-diamino-N-[(2R)-2-[carbamimidoyl-[3-(4-methoxyphenyl)propyl]amino]pentyl]-6-chloro-pyrazine-2-carboxamide
CAS Name: 3,5-diamino-N-[(2R)-2-[carbamimidoyl-[3-(4-methoxyphenyl)propyl]amino]pentyl]-6-chloro-2-pyrazinecarboxamide
IUPAC NAME: 3,5-diamino-N-[(2R)-2-[carbamimidoyl-[3-(4-methoxyphenyl)propyl]amino]pentyl]-6-chloropyrazine-2-carboxamide
SYSTEMATIC NAME: 3,5-bis(azanyl)-N-[(2R)-2-[carbamimidoyl-[3-(4-methoxyphenyl)propyl]amino]pentyl]-6-chloranyl-pyrazine-2-carboxamide
MOLECULAR FORMULA: C21H31ClN8O2
MOLECULAR WEIGHT: 462.97624
SMILES: CCC[C@H](CNC(=O)C1=C(N=C(C(=N1)Cl)N)N)N(CCCC2=CC=C(C=C2)OC)C(=N)N
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Product OPENEYE NAME: calcium naphthalene-1-carboxylate
CAS Name: calcium 1-naphthalenecarboxylate
IUPAC NAME: calcium naphthalene-1-carboxylate
SYSTEMATIC NAME: calcium naphthalene-1-carboxylate
MOLECULAR FORMULA: C22H14CaO4
MOLECULAR WEIGHT: 382.42216
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)[O-].C1=CC=C2C(=C1)C=CC=C2C(=O)[O-].[Ca+2]
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Product OPENEYE NAME: triferric oxygen(2-)
CAS Name: iron(3+); oxygen(2-)
IUPAC NAME: iron(3+); oxygen(2-)
SYSTEMATIC NAME: iron(3+); oxygen(2-)
MOLECULAR FORMULA: Fe3O4+
MOLECULAR WEIGHT: 231.5326
SMILES: [O-2].[O-2].[O-2].[O-2].[Fe+3].[Fe+3].[Fe+3]
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Product OPENEYE NAME: 1-[7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-quinolyl]-3-pyrazin-2-yl-urea
CAS Name: 1-[7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-4-quinolinyl]-3-(2-pyrazinyl)urea
IUPAC NAME: 1-[7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]quinolin-4-yl]-3-pyrazin-2-ylurea
SYSTEMATIC NAME: 1-[7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]quinolin-4-yl]-3-pyrazin-2-yl-urea
MOLECULAR FORMULA: C20H21N7O
MOLECULAR WEIGHT: 375.42704
SMILES: C1[C@@H]2CN(C[C@@H]2CN1)C3=CC4=NC=CC(=C4C=C3)NC(=O)NC5=NC=CN=C5
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Product OPENEYE NAME: tert-butyl (3aS,6aR)-2-[6-[(7-methoxy-4-quinolyl)carbamoylamino]pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CAS Name: (3aS,6aR)-2-[6-[[[(7-methoxy-4-quinolinyl)amino]-oxomethyl]amino]-2-pyrazinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (3aS,6aR)-2-[6-[(7-methoxyquinolin-4-yl)carbamoylamino]pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
SYSTEMATIC NAME: tert-butyl (3aS,6aR)-2-[6-[(7-methoxyquinolin-4-yl)carbamoylamino]pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
MOLECULAR FORMULA: C26H31N7O4
MOLECULAR WEIGHT: 505.56884
SMILES: CC(C)(C)OC(=O)N1C[C@H]2CN(C[C@H]2C1)C3=CN=CC(=N3)NC(=O)NC4=C5C=CC(=CC5=NC=C4)OC
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Product OPENEYE NAME: 1-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-(7-methoxy-4-quinolyl)urea
CAS Name: 1-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-pyrazinyl]-3-(7-methoxy-4-quinolinyl)urea
IUPAC NAME: 1-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-(7-methoxyquinolin-4-yl)urea
SYSTEMATIC NAME: 1-[6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-3-(7-methoxyquinolin-4-yl)urea
MOLECULAR FORMULA: C21H23N7O2
MOLECULAR WEIGHT: 405.45302
SMILES: COC1=CC2=NC=CC(=C2C=C1)NC(=O)NC3=NC(=CN=C3)N4C[C@H]5CNC[C@H]5C4
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Product OPENEYE NAME: tert-butyl (1R,4S)-5-[4-(pyrazin-2-ylcarbamoylamino)-7-quinolyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CAS Name: (1R,4S)-5-[4-[[oxo-(2-pyrazinylamino)methyl]amino]-7-quinolinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (1R,4S)-5-[4-(pyrazin-2-ylcarbamoylamino)quinolin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
SYSTEMATIC NAME: tert-butyl (1R,4S)-5-[4-(pyrazin-2-ylcarbamoylamino)quinolin-7-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
MOLECULAR FORMULA: C24H27N7O3
MOLECULAR WEIGHT: 461.51628
SMILES: CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]1CN2C3=CC4=NC=CC(=C4C=C3)NC(=O)NC5=NC=CN=C5
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Product OPENEYE NAME: tert-butyl 5-[4-(pyrazin-2-ylcarbamoylamino)-7-quinolyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
CAS Name: 5-[4-[[oxo-(2-pyrazinylamino)methyl]amino]-7-quinolinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 5-[4-(pyrazin-2-ylcarbamoylamino)quinolin-7-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 5-[4-(pyrazin-2-ylcarbamoylamino)quinolin-7-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
MOLECULAR FORMULA: C25H29N7O3
MOLECULAR WEIGHT: 475.54286
SMILES: CC(C)(C)OC(=O)N1CCC2C1CN(C2)C3=CC4=NC=CC(=C4C=C3)NC(=O)NC5=NC=CN=C5
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Product OPENEYE NAME: 4,4,5-trideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]oxazolidin-2-one
CAS Name: 4,4,5-trideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 4,4,5-trideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 4,4,5-trideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 226.283209
SMILES: [2H]C1(C(OC(=O)N1)([2H])C([2H])([2H])OC2=CC(=CC(=C2)C)C)[2H]
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Product OPENEYE NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuterio-methyl]-4,4,5-trideuterio-oxazolidin-2-one
CAS Name: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuteriomethyl]-4,4,5-trideuterio-2-oxazolidinone
IUPAC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuteriomethyl]-4,4,5-trideuterio-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuterio-methyl]-4,4,5-trideuterio-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 232.32018
SMILES: [2H]C1(C(OC(=O)N1)([2H])C([2H])([2H])OC2=CC(=CC(=C2)C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]
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Product OPENEYE NAME: 4,4,5-trideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]oxazolidin-2-one
CAS Name: 4,4,5-trideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 4,4,5-trideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 4,4,5-trideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 229.301694
SMILES: [2H]C1=C(C(=C(C(=C1C)[2H])OC([2H])([2H])C2(C(NC(=O)O2)([2H])[2H])[2H])[2H])C
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Product OPENEYE NAME: 4,4,5-trideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]oxazolidin-2-one
CAS Name: 4,4,5-trideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-2-oxazolidinone
IUPAC NAME: 4,4,5-trideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 4,4,5-trideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 235.338665
SMILES: [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])OC([2H])([2H])C2(C(NC(=O)O2)([2H])[2H])[2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 3-deuterio-5-[(3,5-dimethylphenoxy)methyl]oxazolidin-2-one
CAS Name: 3-deuterio-5-[(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3-deuterio-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-deuterio-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 222.258562
SMILES: [2H]N1CC(OC1=O)COC2=CC(=CC(=C2)C)C
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Product OPENEYE NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-3-deuterio-oxazolidin-2-one
CAS Name: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-3-deuterio-2-oxazolidinone
IUPAC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-3-deuterio-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-3-deuterio-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 228.295532
SMILES: [2H]C([2H])([2H])C1=CC(=CC(=C1)OCC2CN(C(=O)O2)[2H])C([2H])([2H])[2H]
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