CAS RN: 14991-97-0
CAS Name: 1-[2-[4-[3-(4-morpholinyl)prop-1-ynyl]phenyl]ethynyl]-1-cyclohexanol
OPENEYE Name: 1-[2-[4-(3-morpholinoprop-1-ynyl)phenyl]ethynyl]cyclohexanol
IUPAC Name: 1-[2-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]ethynyl]cyclohexan-1-ol
SYSTEMATIC NAME: 1-[2-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]ethynyl]cyclohexan-1-ol
MOLECULAR FORMULA: C21H25NO2
MOLECULAR WEIGHT: 323.4287
SMILES: C1CCC(CC1)(C#CC2=CC=C(C=C2)C#CCN3CCOCC3)O
Structure:
CAS RN: 14982-35-5
CAS Name: 2-(4-ethoxyanilino)-N,N-dimethylpropanamide
OPENEYE Name: 2-(4-ethoxyanilino)-N,N-dimethyl-propanamide
IUPAC Name: 2-(4-ethoxyanilino)-N,N-dimethylpropanamide
SYSTEMATIC NAME: 2-[(4-ethoxyphenyl)amino]-N,N-dimethyl-propanamide
MOLECULAR FORMULA: C13H20N2O2
MOLECULAR WEIGHT: 236.3101
SMILES: CCOC1=CC=C(C=C1)NC(C)C(=O)N(C)C
Structure:
CAS RN: 14978-20-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H30ClN5O3
MOLECULAR WEIGHT: 508.0118
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
Structure:
CAS RN: 14974-71-1
CAS Name: 2-[(2-oxiranylmethylthio)methyl]oxirane
OPENEYE Name: 2-(oxiran-2-ylmethylsulfanylmethyl)oxirane
IUPAC Name: 2-(oxiran-2-ylmethylsulfanylmethyl)oxirane
SYSTEMATIC NAME: 2-(oxiran-2-ylmethylsulfanylmethyl)oxirane
MOLECULAR FORMULA: C6H10O2S
MOLECULAR WEIGHT: 146.2074
SMILES: C1C(O1)CSCC2CO2
Structure:
CAS RN: 14961-49-0
CAS Name: 2-[6-[(4,6-dimethyl-2-pyrimidinyl)thio]hexylthio]-4,6-dimethylpyrimidine
OPENEYE Name: 2-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexylsulfanyl]-4,6-dimethyl-pyrimidine
IUPAC Name: 2-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexylsulfanyl]-4,6-dimethylpyrimidine
SYSTEMATIC NAME: 2-[6-(4,6-dimethylpyrimidin-2-yl)sulfanylhexylsulfanyl]-4,6-dimethyl-pyrimidine
MOLECULAR FORMULA: C18H26N4S2
MOLECULAR WEIGHT: 362.55584
SMILES: CC1=CC(=NC(=N1)SCCCCCCSC2=NC(=CC(=N2)C)C)C
Structure:
CAS RN: 14961-47-8
CAS Name: 2-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]butylthio]-4,6-dimethylpyrimidine
OPENEYE Name: 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylbutylsulfanyl]-4,6-dimethyl-pyrimidine
IUPAC Name: 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylbutylsulfanyl]-4,6-dimethylpyrimidine
SYSTEMATIC NAME: 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylbutylsulfanyl]-4,6-dimethyl-pyrimidine
MOLECULAR FORMULA: C16H22N4S2
MOLECULAR WEIGHT: 334.50268
SMILES: CC1=CC(=NC(=N1)SCCCCSC2=NC(=CC(=N2)C)C)C
Structure:
CAS RN: 14961-46-7
CAS Name: 2-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]propylthio]-4,6-dimethylpyrimidine
OPENEYE Name: 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropylsulfanyl]-4,6-dimethyl-pyrimidine
IUPAC Name: 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropylsulfanyl]-4,6-dimethylpyrimidine
SYSTEMATIC NAME: 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropylsulfanyl]-4,6-dimethyl-pyrimidine
MOLECULAR FORMULA: C15H20N4S2
MOLECULAR WEIGHT: 320.4761
SMILES: CC1=CC(=NC(=N1)SCCCSC2=NC(=CC(=N2)C)C)C
Structure:
CAS RN: 14923-04-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H42N2O4S
MOLECULAR WEIGHT: 514.71978
SMILES: CCN(CC)CCOCC1CC2C3=CC=CC=C3C1C4=CC=CC=C24.C1CCC(CC1)NS(=O)(=O)O
Structure:
CAS RN: 14921-71-2
CAS Name: 4-[(4-ethoxyphenyl)methylideneamino]benzoic acid
OPENEYE Name: 4-[(4-ethoxyphenyl)methyleneamino]benzoic acid
IUPAC Name: 4-[(4-ethoxyphenyl)methylideneamino]benzoic acid
SYSTEMATIC NAME: 4-[(4-ethoxyphenyl)methylideneamino]benzoic acid
MOLECULAR FORMULA: C16H15NO3
MOLECULAR WEIGHT: 269.2952
SMILES: CCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 14910-27-1
CAS Name: 2-heptyl-5-(3-methylbutoxy)phenol
OPENEYE Name: 2-heptyl-5-isopentyloxy-phenol
IUPAC Name: 2-heptyl-5-(3-methylbutoxy)phenol
SYSTEMATIC NAME: 2-heptyl-5-(3-methylbutoxy)phenol
MOLECULAR FORMULA: C18H30O2
MOLECULAR WEIGHT: 278.4296
SMILES: CCCCCCCC1=C(C=C(C=C1)OCCC(C)C)O
Structure:
CAS RN: 14910-24-8
CAS Name: 1-methyl-4-[3-[2-(phenylmethyl)-3H-inden-1-yl]propyl]piperazine; oxalic acid
OPENEYE Name: 1-[3-(2-benzyl-3H-inden-1-yl)propyl]-4-methyl-piperazine; oxalic acid
IUPAC Name: 1-[3-(2-benzyl-3H-inden-1-yl)propyl]-4-methylpiperazine; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 1-methyl-4-[3-[2-(phenylmethyl)-3H-inden-1-yl]propyl]piperazine
MOLECULAR FORMULA: C28H34N2O8
MOLECULAR WEIGHT: 526.57816
SMILES: CN1CCN(CC1)CCCC2=C(CC3=CC=CC=C32)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 14910-23-7
CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-2,2-dichloroacetamide
OPENEYE Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2,2-dichloro-acetamide
IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2,2-dichloroacetamide
SYSTEMATIC NAME: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2,2-bis(chloranyl)ethanamide
MOLECULAR FORMULA: C13H17Cl2N3O4S
MOLECULAR WEIGHT: 382.26278
SMILES: CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(Cl)Cl
Structure:
CAS RN: 14909-01-4
CAS Name: N-[(4-bromophenyl)methyl]-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: N-[(4-bromophenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
IUPAC Name: N-[(4-bromophenyl)methyl]-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-[(4-bromophenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C16H19BrClN
MOLECULAR WEIGHT: 340.68576
SMILES: CC(CC1=CC=CC=C1)NCC2=CC=C(C=C2)Br.Cl
Structure:
CAS RN: 14898-12-5
CAS Name: N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2-propanamine hydrochloride
OPENEYE Name: N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine hydrochloride
IUPAC Name: N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine hydrochloride
SYSTEMATIC NAME: N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine hydrochloride
MOLECULAR FORMULA: C18H21ClF3N
MOLECULAR WEIGHT: 343.81425
SMILES: CC(CC1=CC=CC=C1)N(C)CC2=CC(=CC=C2)C(F)(F)F.Cl
Structure:
CAS RN: 14898-11-4
CAS Name: N-[(4-fluorophenyl)methyl]-N-methyl-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: N-[(4-fluorophenyl)methyl]-N-methyl-1-phenyl-propan-2-amine hydrochloride
IUPAC Name: N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-N-methyl-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C17H21ClFN
MOLECULAR WEIGHT: 293.806743
SMILES: CC(CC1=CC=CC=C1)N(C)CC2=CC=C(C=C2)F.Cl
Structure:
CAS RN: 14896-70-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H27ClN2O2
MOLECULAR WEIGHT: 386.91498
SMILES: C[N+]12CCC34[C@@H]1C[C@H]5[C@@H](C2)CCO[C@@H]6[C@H]5[C@@H]3N(C(=O)C6)C7=CC=CC=C47.[Cl-]
Structure:
CAS RN: 14893-42-6
CAS Name: 1-[2-[4-[3-(1-piperidinyl)propyl]phenyl]ethyl]-1-cyclohexanol
OPENEYE Name: 1-[2-[4-[3-(1-piperidyl)propyl]phenyl]ethyl]cyclohexanol
IUPAC Name: 1-[2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]cyclohexan-1-ol
SYSTEMATIC NAME: 1-[2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]cyclohexan-1-ol
MOLECULAR FORMULA: C22H35NO
MOLECULAR WEIGHT: 329.5194
SMILES: C1CCC(CC1)(CCC2=CC=C(C=C2)CCCN3CCCCC3)O
Structure:
CAS RN: 14893-41-5
CAS Name: 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]-1-cyclohexanol
OPENEYE Name: 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexanol
IUPAC Name: 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol
SYSTEMATIC NAME: 1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol
MOLECULAR FORMULA: C21H35NO
MOLECULAR WEIGHT: 317.5087
SMILES: CCN(CC)CCCC1=CC=C(C=C1)CCC2(CCCCC2)O
Structure:
CAS RN: 14893-39-1
CAS Name: 1-[2-[4-[3-(4-morpholinyl)propyl]phenyl]ethyl]-1-cyclohexanol
OPENEYE Name: 1-[2-[4-(3-morpholinopropyl)phenyl]ethyl]cyclohexanol
IUPAC Name: 1-[2-[4-(3-morpholin-4-ylpropyl)phenyl]ethyl]cyclohexan-1-ol
SYSTEMATIC NAME: 1-[2-[4-(3-morpholin-4-ylpropyl)phenyl]ethyl]cyclohexan-1-ol
MOLECULAR FORMULA: C21H33NO2
MOLECULAR WEIGHT: 331.49222
SMILES: C1CCC(CC1)(CCC2=CC=C(C=C2)CCCN3CCOCC3)O
Structure:
CAS RN: 14893-27-7
CAS Name: 1-[2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]ethynyl]-1-cyclohexanol hydrochloride
OPENEYE Name: 1-[2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexanol hydrochloride
IUPAC Name: 1-[2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexan-1-ol hydrochloride
SYSTEMATIC NAME: 1-[2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexan-1-ol hydrochloride
MOLECULAR FORMULA: C19H24ClNO
MOLECULAR WEIGHT: 317.85296
SMILES: CN(C)CC#CC1=CC=C(C=C1)C#CC2(CCCCC2)O.Cl
Structure:
CAS RN: 14893-26-6
CAS Name: 1-[2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]ethynyl]-1-cyclohexanol
OPENEYE Name: 1-[2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexanol
IUPAC Name: 1-[2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexan-1-ol
SYSTEMATIC NAME: 1-[2-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexan-1-ol
MOLECULAR FORMULA: C19H23NO
MOLECULAR WEIGHT: 281.39202
SMILES: CN(C)CC#CC1=CC=C(C=C1)C#CC2(CCCCC2)O
Structure:
CAS RN: 14868-13-4
CAS Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid 2,3-bis[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]propyl ester
OPENEYE Name: 2,3-bis[[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy]propyl 2-(4-chlorophenoxy)-2-methyl-propanoate
IUPAC Name: 2,3-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]propyl 2-(4-chlorophenoxy)-2-methylpropanoate
SYSTEMATIC NAME: 2,3-bis[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy]propyl 2-(4-chloranylphenoxy)-2-methyl-propanoate
MOLECULAR FORMULA: C33H35Cl3O9
MOLECULAR WEIGHT: 681.9846
SMILES: CC(C)(C(=O)OCC(COC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl
Structure:
CAS RN: 14845-06-8
CAS Name: 4-ethyl-1,2-diphenylpyrazolidine-3,5-dione
OPENEYE Name: 4-ethyl-1,2-diphenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-ethyl-1,2-diphenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-ethyl-1,2-diphenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C17H16N2O2
MOLECULAR WEIGHT: 280.32114
SMILES: CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 14845-01-3
CAS Name: 2,3-dimethyl-1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
OPENEYE Name: 2,3-dimethyl-1-[2-(4-pyridyl)ethyl]indoline
IUPAC Name: 2,3-dimethyl-1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
SYSTEMATIC NAME: 2,3-dimethyl-1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
MOLECULAR FORMULA: C17H20N2
MOLECULAR WEIGHT: 252.3541
SMILES: CC1C(N(C2=CC=CC=C12)CCC3=CC=NC=C3)C
Structure:
CAS RN: 14845-00-2
CAS Name: 2-methyl-1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
OPENEYE Name: 2-methyl-1-[2-(4-pyridyl)ethyl]indoline
IUPAC Name: 2-methyl-1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
SYSTEMATIC NAME: 2-methyl-1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
MOLECULAR FORMULA: C16H18N2
MOLECULAR WEIGHT: 238.32752
SMILES: CC1CC2=CC=CC=C2N1CCC3=CC=NC=C3
Structure:
CAS RN: 14844-86-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H33NO4
MOLECULAR WEIGHT: 375.50172
SMILES: CCCCC[N+]1(CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O)C.[OH-]
Structure:
CAS RN: 14844-85-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H31NO4
MOLECULAR WEIGHT: 361.47514
SMILES: CCCC[N+]1(CCC23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O)C.[OH-]
Structure:
CAS RN: 14844-84-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H27NO4
MOLECULAR WEIGHT: 333.42198
SMILES: CC[N+]1(CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O)C.[OH-]
Structure:
CAS RN: 14844-83-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H25NO4
MOLECULAR WEIGHT: 319.3954
SMILES: C[N+]1(CCC23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O)C.[OH-]
Structure:
CAS RN: 14840-71-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H18N2O3S
MOLECULAR WEIGHT: 354.42282
SMILES: C1C2(CN3CC(C2=O)(CN1S3(=O)=O)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 14819-39-7
CAS Name: 2-propyl-4-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-propylthiazole-4-carboxylate
IUPAC Name: ethyl 2-propyl-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2-propyl-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C9H13NO2S
MOLECULAR WEIGHT: 199.27002
SMILES: CCCC1=NC(=CS1)C(=O)OCC
Structure:
CAS RN: 14817-99-3
CAS Name: 1-(4-chlorophenyl)-N-(phenylmethyl)-2-propanamine hydrochloride
OPENEYE Name: N-benzyl-1-(4-chlorophenyl)propan-2-amine hydrochloride
IUPAC Name: N-benzyl-1-(4-chlorophenyl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(4-chlorophenyl)-N-(phenylmethyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C16H19Cl2N
MOLECULAR WEIGHT: 296.23476
SMILES: CC(CC1=CC=C(C=C1)Cl)NCC2=CC=CC=C2.Cl
Structure:
CAS RN: 14817-93-7
CAS Name: N-[(4-fluorophenyl)methyl]-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: N-[(4-fluorophenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
IUPAC Name: N-[(4-fluorophenyl)methyl]-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C16H19ClFN
MOLECULAR WEIGHT: 279.780163
SMILES: CC(CC1=CC=CC=C1)NCC2=CC=C(C=C2)F.Cl
Structure:
CAS RN: 68398-08-3
CAS Name: N-[(4-fluorophenyl)methyl]-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: N-[(4-fluorophenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
IUPAC Name: N-[(4-fluorophenyl)methyl]-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C16H19ClFN
MOLECULAR WEIGHT: 279.780163
SMILES: CC(CC1=CC=CC=C1)NCC2=CC=C(C=C2)F.Cl
Structure:
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