CAS RN: 2412-30-8
CAS Name: sulfuric acid 2-methylpropyl ester
OPENEYE Name: isobutyl hydrogen sulfate
IUPAC Name: 2-methylpropyl hydrogen sulfate
SYSTEMATIC NAME: 2-methylpropyl hydrogen sulfate
MOLECULAR FORMULA: C4H10O4S
MOLECULAR WEIGHT: 154.1848
SMILES: CC(C)COS(=O)(=O)O
Structure:
CAS RN: 10498-22-3
CAS Name: ammonium 2-methylpropyl sulfate
OPENEYE Name: ammonium isobutyl sulfate
IUPAC Name: azanium 2-methylpropyl sulfate
SYSTEMATIC NAME: azanium 2-methylpropyl sulfate
MOLECULAR FORMULA: C4H13NO4S
MOLECULAR WEIGHT: 171.21532
SMILES: CC(C)COS(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 10495-37-1
CAS Name: 6-amino-2-phenylbenzo[de]isoquinoline-1,3-dione
OPENEYE Name: 6-amino-2-phenyl-benzo[de]isoquinoline-1,3-dione
IUPAC Name: 6-amino-2-phenylbenzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 6-azanyl-2-phenyl-benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O
Structure:
CAS RN: 10480-24-7
CAS Name: 1-(4-chlorophenyl)-5-(3-nitrophenyl)-4,5-dihydrotriazole
OPENEYE Name: 1-(4-chlorophenyl)-5-(3-nitrophenyl)-4,5-dihydrotriazole
IUPAC Name: 1-(4-chlorophenyl)-5-(3-nitrophenyl)-4,5-dihydrotriazole
SYSTEMATIC NAME: 1-(4-chlorophenyl)-5-(3-nitrophenyl)-4,5-dihydro-1,2,3-triazole
MOLECULAR FORMULA: C14H11ClN4O2
MOLECULAR WEIGHT: 302.71574
SMILES: C1C(N(N=N1)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 10478-89-4
CAS Name: 2-(3-pyridinyl)indene-1,3-dione
OPENEYE Name: 2-(3-pyridyl)indane-1,3-dione
IUPAC Name: 2-pyridin-3-ylindene-1,3-dione
SYSTEMATIC NAME: 2-pyridin-3-ylindene-1,3-dione
MOLECULAR FORMULA: C14H9NO2
MOLECULAR WEIGHT: 223.22676
SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CN=CC=C3
Structure:
CAS RN: 10473-98-0
CAS Name: 1-pyrrolidinecarboxylic acid 1,1-diphenylprop-2-ynyl ester
OPENEYE Name: 1,1-diphenylprop-2-ynyl pyrrolidine-1-carboxylate
IUPAC Name: 1,1-diphenylprop-2-ynyl pyrrolidine-1-carboxylate
SYSTEMATIC NAME: 1,1-diphenylprop-2-ynyl pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C20H19NO2
MOLECULAR WEIGHT: 305.37036
SMILES: C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)N3CCCC3
Structure:
CAS RN: 86933-67-7
CAS Name: 1-pyrrolidinecarboxylic acid 1,1-diphenylprop-2-ynyl ester
OPENEYE Name: 1,1-diphenylprop-2-ynyl pyrrolidine-1-carboxylate
IUPAC Name: 1,1-diphenylprop-2-ynyl pyrrolidine-1-carboxylate
SYSTEMATIC NAME: 1,1-diphenylprop-2-ynyl pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C20H19NO2
MOLECULAR WEIGHT: 305.37036
SMILES: C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)N3CCCC3
Structure:
CAS RN: 10473-74-2
CAS Name: carbamic acid [1-(4-bromophenyl)-1-phenylprop-2-ynyl] ester
OPENEYE Name: [1-(4-bromophenyl)-1-phenyl-prop-2-ynyl] carbamate
IUPAC Name: [1-(4-bromophenyl)-1-phenylprop-2-ynyl] carbamate
SYSTEMATIC NAME: [1-(4-bromophenyl)-1-phenyl-prop-2-ynyl] carbamate
MOLECULAR FORMULA: C16H12BrNO2
MOLECULAR WEIGHT: 330.17598
SMILES: C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Br)OC(=O)N
Structure:
CAS RN: 10457-86-0
CAS Name: 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylic acid butyl ester iodide
OPENEYE Name: butyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide
IUPAC Name: butyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide
SYSTEMATIC NAME: butyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide
MOLECULAR FORMULA: C12H22INO2
MOLECULAR WEIGHT: 339.21305
SMILES: CCCCOC(=O)C1=CCC[N+](C1)(C)C.[I-]
Structure:
CAS RN: 10456-80-1
CAS Name: 2-(2-benzoyl-4-nitroanilino)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-benzoyl-4-nitro-anilino)acetate
IUPAC Name: ethyl 2-(2-benzoyl-4-nitroanilino)acetate
SYSTEMATIC NAME: ethyl 2-[[4-nitro-2-(phenylcarbonyl)phenyl]amino]ethanoate
MOLECULAR FORMULA: C17H16N2O5
MOLECULAR WEIGHT: 328.31934
SMILES: CCOC(=O)CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2
Structure:
CAS RN: 10447-40-2
CAS Name: 1-azabicyclo[2.2.2]octan-3-yl-bis(4-methoxyphenyl)methanol
OPENEYE Name: bis(4-methoxyphenyl)-quinuclidin-3-yl-methanol
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl-bis(4-methoxyphenyl)methanol
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl-bis(4-methoxyphenyl)methanol
MOLECULAR FORMULA: C22H27NO3
MOLECULAR WEIGHT: 353.45468
SMILES: COC1=CC=C(C=C1)C(C2CN3CCC2CC3)(C4=CC=C(C=C4)OC)O
Structure:
CAS RN: 10445-22-4
CAS Name: 1,5-diphenyl-4,5-dihydrotriazole
OPENEYE Name: 1,5-diphenyl-4,5-dihydrotriazole
IUPAC Name: 1,5-diphenyl-4,5-dihydrotriazole
SYSTEMATIC NAME: 1,5-diphenyl-4,5-dihydro-1,2,3-triazole
MOLECULAR FORMULA: C14H13N3
MOLECULAR WEIGHT: 223.27312
SMILES: C1C(N(N=N1)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 10440-82-1
CAS Name: 5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
OPENEYE Name: 5-(p-tolylsulfonyl)-1,4-dihydropyrazolo[4,3-c]quinoline
IUPAC Name: 5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
SYSTEMATIC NAME: 5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
MOLECULAR FORMULA: C17H15N3O2S
MOLECULAR WEIGHT: 325.3849
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C4=CC=CC=C42)NN=C3
Structure:
CAS RN: 10435-35-5
CAS Name: 4-[2-[4-[2,2,2-trichloro-1-[4-[2-(4-morpholinyl)ethoxy]phenyl]ethyl]phenoxy]ethyl]morpholine
OPENEYE Name: 4-[2-[4-[2,2,2-trichloro-1-[4-(2-morpholinoethoxy)phenyl]ethyl]phenoxy]ethyl]morpholine
IUPAC Name: 4-[2-[4-[2,2,2-trichloro-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]phenoxy]ethyl]morpholine
SYSTEMATIC NAME: 4-[2-[4-[2,2,2-tris(chloranyl)-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethyl]phenoxy]ethyl]morpholine
MOLECULAR FORMULA: C26H33Cl3N2O4
MOLECULAR WEIGHT: 543.91022
SMILES: C1COCCN1CCOC2=CC=C(C=C2)C(C3=CC=C(C=C3)OCCN4CCOCC4)C(Cl)(Cl)Cl
Structure:
CAS RN: 10429-79-5
CAS Name: N,N-bis(2-chloroethyl)-2-ethoxyethanamine hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-2-ethoxy-ethanamine hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-2-ethoxyethanamine hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-ethoxy-ethanamine hydrochloride
MOLECULAR FORMULA: C8H18Cl3NO
MOLECULAR WEIGHT: 250.59362
SMILES: CCOCCN(CCCl)CCCl.Cl
Structure:
CAS RN: 143413-70-1
CAS Name: 8-[4-[[(3R)-5-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride
OPENEYE Name: 8-[4-[[(3R)-5-methoxychroman-3-yl]-propyl-amino]butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride
IUPAC Name: 8-[4-[[(3R)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride
SYSTEMATIC NAME: 8-[4-[[(3R)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]-propyl-amino]butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride
MOLECULAR FORMULA: C26H39ClN2O4
MOLECULAR WEIGHT: 479.05186
SMILES: CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]3CC4=C(C=CC=C4OC)OC3.Cl
Structure:
CAS RN: 22668-03-7
CAS Name: N,N-dimethyl-2-(2-nitro-1-imidazolyl)acetamide
OPENEYE Name: N,N-dimethyl-2-(2-nitroimidazol-1-yl)acetamide
IUPAC Name: N,N-dimethyl-2-(2-nitroimidazol-1-yl)acetamide
SYSTEMATIC NAME: N,N-dimethyl-2-(2-nitroimidazol-1-yl)ethanamide
MOLECULAR FORMULA: C7H10N4O3
MOLECULAR WEIGHT: 198.1793
SMILES: CN(C)C(=O)CN1C=CN=C1[N+](=O)[O-]
Structure:
CAS RN: 85976-54-1
CAS Name: 3-[(3R)-1-propyl-3-piperidinyl]phenol hydrochloride
OPENEYE Name: 3-[(3R)-1-propyl-3-piperidyl]phenol hydrochloride
IUPAC Name: 3-[(3R)-1-propylpiperidin-3-yl]phenol hydrochloride
SYSTEMATIC NAME: 3-[(3R)-1-propylpiperidin-3-yl]phenol hydrochloride
MOLECULAR FORMULA: C14H22ClNO
MOLECULAR WEIGHT: 255.78358
SMILES: CCCN1CCC[C@@H](C1)C2=CC(=CC=C2)O.Cl
Structure:
CAS RN: 10429-61-5
CAS Name: 4-[2-[2-[2-(phenylmethyl)phenoxy]ethylamino]ethyl]phenol hydrochloride
OPENEYE Name: 4-[2-[2-(2-benzylphenoxy)ethylamino]ethyl]phenol hydrochloride
IUPAC Name: 4-[2-[2-(2-benzylphenoxy)ethylamino]ethyl]phenol hydrochloride
SYSTEMATIC NAME: 4-[2-[2-[2-(phenylmethyl)phenoxy]ethylamino]ethyl]phenol hydrochloride
MOLECULAR FORMULA: C23H26ClNO2
MOLECULAR WEIGHT: 383.91104
SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2OCCNCCC3=CC=C(C=C3)O.Cl
Structure:
CAS RN: 10429-58-0
CAS Name: N-[2-[2-(phenylmethyl)phenoxy]ethyl]-2,3-dihydro-1H-inden-2-amine hydrochloride
OPENEYE Name: N-[2-(2-benzylphenoxy)ethyl]indan-2-amine hydrochloride
IUPAC Name: N-[2-(2-benzylphenoxy)ethyl]-2,3-dihydro-1H-inden-2-amine hydrochloride
SYSTEMATIC NAME: N-[2-[2-(phenylmethyl)phenoxy]ethyl]-2,3-dihydro-1H-inden-2-amine hydrochloride
MOLECULAR FORMULA: C24H26ClNO
MOLECULAR WEIGHT: 379.92234
SMILES: C1C(CC2=CC=CC=C21)NCCOC3=CC=CC=C3CC4=CC=CC=C4.Cl
Structure:
CAS RN: 10429-57-9
CAS Name: 1-phenyl-N-[2-[2-(phenylmethyl)phenoxy]ethyl]-2-propanamine hydrochloride
OPENEYE Name: N-[2-(2-benzylphenoxy)ethyl]-1-phenyl-propan-2-amine hydrochloride
IUPAC Name: N-[2-(2-benzylphenoxy)ethyl]-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: 1-phenyl-N-[2-[2-(phenylmethyl)phenoxy]ethyl]propan-2-amine hydrochloride
MOLECULAR FORMULA: C24H28ClNO
MOLECULAR WEIGHT: 381.93822
SMILES: CC(CC1=CC=CC=C1)NCCOC2=CC=CC=C2CC3=CC=CC=C3.Cl
Structure:
CAS RN: 10429-56-8
CAS Name: N-butyl-N-[3-[2-[(4-chlorophenyl)methyl]phenoxy]propyl]-1-butanamine hydrochloride
OPENEYE Name: N-butyl-N-[3-[2-[(4-chlorophenyl)methyl]phenoxy]propyl]butan-1-amine hydrochloride
IUPAC Name: N-butyl-N-[3-[2-[(4-chlorophenyl)methyl]phenoxy]propyl]butan-1-amine hydrochloride
SYSTEMATIC NAME: N-butyl-N-[3-[2-[(4-chlorophenyl)methyl]phenoxy]propyl]butan-1-amine hydrochloride
MOLECULAR FORMULA: C24H35Cl2NO
MOLECULAR WEIGHT: 424.4468
SMILES: CCCCN(CCCC)CCCOC1=CC=CC=C1CC2=CC=C(C=C2)Cl.Cl
Structure:
CAS RN: 10429-55-7
CAS Name: 1,1-dimethyl-4-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperazin-1-ium iodide
OPENEYE Name: 4-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1,1-dimethyl-piperazin-1-ium iodide
IUPAC Name: 4-[1-(2-benzylphenoxy)propan-2-yl]-1,1-dimethylpiperazin-1-ium iodide
SYSTEMATIC NAME: 1,1-dimethyl-4-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperazin-1-ium iodide
MOLECULAR FORMULA: C22H31IN2O
MOLECULAR WEIGHT: 466.39881
SMILES: CC(COC1=CC=CC=C1CC2=CC=CC=C2)N3CC[N+](CC3)(C)C.[I-]
Structure:
CAS RN: 10429-52-4
CAS Name: 3-[2-[(4-chlorophenyl)methyl]phenoxy]-N,N-diethyl-1-propanamine hydroiodide
OPENEYE Name: 3-[2-[(4-chlorophenyl)methyl]phenoxy]-N,N-diethyl-propan-1-amine hydroiodide
IUPAC Name: 3-[2-[(4-chlorophenyl)methyl]phenoxy]-N,N-diethylpropan-1-amine hydroiodide
SYSTEMATIC NAME: 3-[2-[(4-chlorophenyl)methyl]phenoxy]-N,N-diethyl-propan-1-amine hydroiodide
MOLECULAR FORMULA: C20H27ClINO
MOLECULAR WEIGHT: 459.79195
SMILES: CCN(CC)CCCOC1=CC=CC=C1CC2=CC=C(C=C2)Cl.I
Structure:
CAS RN: 10429-51-3
CAS Name: N,N-diethyl-3-[2-(phenylmethyl)phenoxy]-1-propanamine hydrochloride
OPENEYE Name: 3-(2-benzylphenoxy)-N,N-diethyl-propan-1-amine hydrochloride
IUPAC Name: 3-(2-benzylphenoxy)-N,N-diethylpropan-1-amine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-3-[2-(phenylmethyl)phenoxy]propan-1-amine hydrochloride
MOLECULAR FORMULA: C20H28ClNO
MOLECULAR WEIGHT: 333.89542
SMILES: CCN(CC)CCCOC1=CC=CC=C1CC2=CC=CC=C2.Cl
Structure:
CAS RN: 10429-40-0
CAS Name: 1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]pyrrolidine; phosphoric acid
OPENEYE Name: 1-[2-(2-benzylphenoxy)-1-methyl-ethyl]pyrrolidine; phosphoric acid
IUPAC Name: 1-[1-(2-benzylphenoxy)propan-2-yl]pyrrolidine; phosphoric acid
SYSTEMATIC NAME: 1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]pyrrolidine; phosphoric acid
MOLECULAR FORMULA: C20H28NO5P
MOLECULAR WEIGHT: 393.413781
SMILES: CC(COC1=CC=CC=C1CC2=CC=CC=C2)N3CCCC3.OP(=O)(O)O
Structure:
CAS RN: 10429-35-3
CAS Name: 2-[2-(phenylmethyl)phenoxy]-1-propanamine hydrochloride
OPENEYE Name: 2-(2-benzylphenoxy)propan-1-amine hydrochloride
IUPAC Name: 2-(2-benzylphenoxy)propan-1-amine hydrochloride
SYSTEMATIC NAME: 2-[2-(phenylmethyl)phenoxy]propan-1-amine hydrochloride
MOLECULAR FORMULA: C16H20ClNO
MOLECULAR WEIGHT: 277.7891
SMILES: CC(CN)OC1=CC=CC=C1CC2=CC=CC=C2.Cl
Structure:
CAS RN: 10429-34-2
CAS Name: [2-[3-(dibutylamino)propoxy]phenyl]-phenylmethanol hydrobromide
OPENEYE Name: [2-[3-(dibutylamino)propoxy]phenyl]-phenyl-methanol hydrobromide
IUPAC Name: [2-[3-(dibutylamino)propoxy]phenyl]-phenylmethanol hydrobromide
SYSTEMATIC NAME: [2-[3-(dibutylamino)propoxy]phenyl]-phenyl-methanol hydrobromide
MOLECULAR FORMULA: C24H36BrNO2
MOLECULAR WEIGHT: 450.45214
SMILES: CCCCN(CCCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O.Br
Structure:
CAS RN: 10429-33-1
CAS Name: [2-[3-(dipropylamino)propoxy]phenyl]-phenylmethanol hydrochloride
OPENEYE Name: [2-[3-(dipropylamino)propoxy]phenyl]-phenyl-methanol hydrochloride
IUPAC Name: [2-[3-(dipropylamino)propoxy]phenyl]-phenylmethanol hydrochloride
SYSTEMATIC NAME: [2-[3-(dipropylamino)propoxy]phenyl]-phenyl-methanol hydrochloride
MOLECULAR FORMULA: C22H32ClNO2
MOLECULAR WEIGHT: 377.94798
SMILES: CCCN(CCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O.Cl
Structure:
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