CAS RN: 1131622-31-5
CAS Name: 3-[1-(2-piperazinyl)butyl]benzoic acid
OPENEYE Name: 3-(1-piperazin-2-ylbutyl)benzoic acid
IUPAC Name: 3-(1-piperazin-2-ylbutyl)benzoic acid
SYSTEMATIC NAME: 3-(1-piperazin-2-ylbutyl)benzoic acid
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: CCCC(C1CNCCN1)C2=CC=CC(=C2)C(=O)O
CAS RN: 1131622-30-4
CAS Name: 4-[1-(2-piperazinyl)butyl]benzoic acid
OPENEYE Name: 4-(1-piperazin-2-ylbutyl)benzoic acid
IUPAC Name: 4-(1-piperazin-2-ylbutyl)benzoic acid
SYSTEMATIC NAME: 4-(1-piperazin-2-ylbutyl)benzoic acid
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: CCCC(C1CNCCN1)C2=CC=C(C=C2)C(=O)O
CAS RN: 1131623-11-4
CAS Name: 2-[2-(2-piperazinyl)ethyl]benzoic acid
OPENEYE Name: 2-(2-piperazin-2-ylethyl)benzoic acid
IUPAC Name: 2-(2-piperazin-2-ylethyl)benzoic acid
SYSTEMATIC NAME: 2-(2-piperazin-2-ylethyl)benzoic acid
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: C1CNC(CN1)CCC2=CC=CC=C2C(=O)O
CAS RN: 1131623-05-6
CAS Name: 2-[2-(2-piperazinyl)ethyl]benzoic acid
OPENEYE Name: 2-(2-piperazin-2-ylethyl)benzoic acid
IUPAC Name: 2-(2-piperazin-2-ylethyl)benzoic acid
SYSTEMATIC NAME: 2-(2-piperazin-2-ylethyl)benzoic acid
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: C1CNC(CN1)CCC2=CC=CC=C2C(=O)O
CAS RN: 1188094-46-3
CAS Name: 3-phenanthrenylboronic acid
OPENEYE Name: 3-phenanthrylboronic acid
IUPAC Name: phenanthren-3-ylboronic acid
SYSTEMATIC NAME: phenanthren-3-ylboronic acid
MOLECULAR FORMULA: C14H11BO2
MOLECULAR WEIGHT: 222.04694
SMILES: B(C1=CC2=C(C=C1)C=CC3=CC=CC=C32)(O)O
CAS RN: 1188094-10-1
CAS Name: 2-phenanthrenylboronic acid
OPENEYE Name: 2-phenanthrylboronic acid
IUPAC Name: phenanthren-2-ylboronic acid
SYSTEMATIC NAME: phenanthren-2-ylboronic acid
MOLECULAR FORMULA: C14H11BO2
MOLECULAR WEIGHT: 222.04694
SMILES: B(C1=CC2=C(C=C1)C3=CC=CC=C3C=C2)(O)O
CAS RN: 47448-66-8
CAS Name: N,N-diethyl-3-[[1-(phenylmethyl)-3-indazolyl]oxy]-1-propanamine
OPENEYE Name: 3-(1-benzylindazol-3-yl)oxy-N,N-diethyl-propan-1-amine
IUPAC Name: 3-(1-benzylindazol-3-yl)oxy-N,N-diethylpropan-1-amine
SYSTEMATIC NAME: N,N-diethyl-3-[1-(phenylmethyl)indazol-3-yl]oxy-propan-1-amine
MOLECULAR FORMULA: C21H27N3O
MOLECULAR WEIGHT: 337.45858
SMILES: CCN(CC)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3
CAS RN: 1101173-93-6
CAS Name: 3-bromo-1,2,4-thiadiazol-5-amine
OPENEYE Name: 3-bromo-1,2,4-thiadiazol-5-amine
IUPAC Name: 3-bromo-1,2,4-thiadiazol-5-amine
SYSTEMATIC NAME: 3-bromanyl-1,2,4-thiadiazol-5-amine
MOLECULAR FORMULA: C2H2BrN3S
MOLECULAR WEIGHT: 180.02638
SMILES: C1(=NC(=NS1)Br)N
CAS RN: 36950-05-7
CAS Name: 2-[(3-chloro-1,2,4-thiadiazol-5-yl)thio]acetamide
OPENEYE Name: 2-[(3-chloro-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
IUPAC Name: 2-[(3-chloro-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
SYSTEMATIC NAME: 2-[(3-chloranyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C4H4ClN3OS2
MOLECULAR WEIGHT: 209.67706
SMILES: C(C(=O)N)SC1=NC(=NS1)Cl
CAS RN: 36955-41-6
CAS Name: 3-chloro-5-(2-methylpropylthio)-1,2,4-thiadiazole
OPENEYE Name: 3-chloro-5-isobutylsulfanyl-1,2,4-thiadiazole
IUPAC Name: 3-chloro-5-(2-methylpropylsulfanyl)-1,2,4-thiadiazole
SYSTEMATIC NAME: 3-chloranyl-5-(2-methylpropylsulfanyl)-1,2,4-thiadiazole
MOLECULAR FORMULA: C6H9ClN2S2
MOLECULAR WEIGHT: 208.73206
SMILES: CC(C)CSC1=NC(=NS1)Cl
CAS RN: 36598-31-9
CAS Name: 3-chloro-5-(phenylmethylthio)-1,2,4-thiadiazole
OPENEYE Name: 5-benzylsulfanyl-3-chloro-1,2,4-thiadiazole
IUPAC Name: 5-benzylsulfanyl-3-chloro-1,2,4-thiadiazole
SYSTEMATIC NAME: 3-chloranyl-5-(phenylmethylsulfanyl)-1,2,4-thiadiazole
MOLECULAR FORMULA: C9H7ClN2S2
MOLECULAR WEIGHT: 242.74828
SMILES: C1=CC=C(C=C1)CSC2=NC(=NS2)Cl
CAS RN: 36955-36-9
CAS Name: 5-(butylthio)-3-chloro-1,2,4-thiadiazole
OPENEYE Name: 5-butylsulfanyl-3-chloro-1,2,4-thiadiazole
IUPAC Name: 5-butylsulfanyl-3-chloro-1,2,4-thiadiazole
SYSTEMATIC NAME: 5-butylsulfanyl-3-chloranyl-1,2,4-thiadiazole
MOLECULAR FORMULA: C6H9ClN2S2
MOLECULAR WEIGHT: 208.73206
SMILES: CCCCSC1=NC(=NS1)Cl
CAS RN: 36955-40-5
CAS Name: 3-bromo-5-(propan-2-ylthio)-1,2,4-thiadiazole
OPENEYE Name: 3-bromo-5-isopropylsulfanyl-1,2,4-thiadiazole
IUPAC Name: 3-bromo-5-propan-2-ylsulfanyl-1,2,4-thiadiazole
SYSTEMATIC NAME: 3-bromanyl-5-propan-2-ylsulfanyl-1,2,4-thiadiazole
MOLECULAR FORMULA: C5H7BrN2S2
MOLECULAR WEIGHT: 239.15648
SMILES: CC(C)SC1=NC(=NS1)Br
CAS RN: 1223748-34-2
CAS Name: 1-methyl-5-(1-pyrrolidinylmethyl)-3-pyrazolecarboxylic acid
OPENEYE Name: 1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole-3-carboxylic acid
IUPAC Name: 1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C10H15N3O2
MOLECULAR WEIGHT: 209.245
SMILES: CN1C(=CC(=N1)C(=O)O)CN2CCCC2
CAS RN: 1223748-31-9
CAS Name: 5-[[cyclohexyl(methyl)amino]methyl]-1-methyl-3-pyrazolecarboxylic acid
OPENEYE Name: 5-[[cyclohexyl(methyl)amino]methyl]-1-methyl-pyrazole-3-carboxylic acid
IUPAC Name: 5-[[cyclohexyl(methyl)amino]methyl]-1-methylpyrazole-3-carboxylic acid
SYSTEMATIC NAME: 5-[[cyclohexyl(methyl)amino]methyl]-1-methyl-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C13H21N3O2
MOLECULAR WEIGHT: 251.32474
SMILES: CN1C(=CC(=N1)C(=O)O)CN(C)C2CCCCC2
CAS RN: 1223748-32-0
CAS Name: 5-[[ethyl(propan-2-yl)amino]methyl]-2-methyl-3-pyrazolecarboxylic acid
OPENEYE Name: 5-[[ethyl(isopropyl)amino]methyl]-2-methyl-pyrazole-3-carboxylic acid
IUPAC Name: 5-[[ethyl(propan-2-yl)amino]methyl]-2-methylpyrazole-3-carboxylic acid
SYSTEMATIC NAME: 5-[[ethyl(propan-2-yl)amino]methyl]-2-methyl-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C11H19N3O2
MOLECULAR WEIGHT: 225.28746
SMILES: CCN(CC1=NN(C(=C1)C(=O)O)C)C(C)C
CAS RN: 1223748-43-3
CAS Name: 5-[[cyclohexyl(methyl)amino]methyl]-2-methyl-3-pyrazolecarboxylic acid
OPENEYE Name: 5-[[cyclohexyl(methyl)amino]methyl]-2-methyl-pyrazole-3-carboxylic acid
IUPAC Name: 5-[[cyclohexyl(methyl)amino]methyl]-2-methylpyrazole-3-carboxylic acid
SYSTEMATIC NAME: 5-[[cyclohexyl(methyl)amino]methyl]-2-methyl-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C13H21N3O2
MOLECULAR WEIGHT: 251.32474
SMILES: CN1C(=CC(=N1)CN(C)C2CCCCC2)C(=O)O
CAS RN: 1223748-46-6
CAS Name: 2-methyl-5-(1-pyrrolidinylmethyl)-3-pyrazolecarboxylic acid
OPENEYE Name: 2-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole-3-carboxylic acid
IUPAC Name: 2-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 2-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C10H15N3O2
MOLECULAR WEIGHT: 209.245
SMILES: CN1C(=CC(=N1)CN2CCCC2)C(=O)O
CAS RN: 1223748-44-4
CAS Name: 5-cyclopropyl-1-methyl-3-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-cyclopropyl-1-methyl-pyrazole-3-carboxylate
IUPAC Name: ethyl 5-cyclopropyl-1-methylpyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-cyclopropyl-1-methyl-pyrazole-3-carboxylate
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CCOC(=O)C1=NN(C(=C1)C2CC2)C
CAS RN: 105786-34-3
CAS Name: (1R,3R,4S)-3-amino-2-bicyclo[2.2.1]hept-5-enecarboxylic acid ethyl ester
OPENEYE Name: ethyl (1R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
IUPAC Name: ethyl (1R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
SYSTEMATIC NAME: ethyl (1R,3R,4S)-3-azanylbicyclo[2.2.1]hept-5-ene-2-carboxylate
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CCOC(=O)C1[C@@H]2C[C@H]([C@H]1N)C=C2
CAS RN: 1223748-50-2
CAS Name: 4-(2-methoxyethylamino)-1-azepanecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(2-methoxyethylamino)azepane-1-carboxylate
IUPAC Name: tert-butyl 4-(2-methoxyethylamino)azepane-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(2-methoxyethylamino)azepane-1-carboxylate
MOLECULAR FORMULA: C14H28N2O3
MOLECULAR WEIGHT: 272.38372
SMILES: CC(C)(C)OC(=O)N1CCCC(CC1)NCCOC
CAS RN: 1223748-53-5
CAS Name: 2-amino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxamide
OPENEYE Name: 2-amino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxamide
IUPAC Name: 2-amino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxamide
SYSTEMATIC NAME: 2-azanyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxamide
MOLECULAR FORMULA: C8H11N5O
MOLECULAR WEIGHT: 193.20584
SMILES: C1CNCC2=C(N=C(N=C21)N)C(=O)N
CAS RN: 1207175-56-1
CAS Name: 2-(4-piperidinyl)-5-(2-pyrazinyl)-1,3,4-oxadiazole
OPENEYE Name: 2-(4-piperidyl)-5-pyrazin-2-yl-1,3,4-oxadiazole
IUPAC Name: 2-piperidin-4-yl-5-pyrazin-2-yl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-piperidin-4-yl-5-pyrazin-2-yl-1,3,4-oxadiazole
MOLECULAR FORMULA: C11H13N5O
MOLECULAR WEIGHT: 231.25382
SMILES: C1CNCCC1C2=NN=C(O2)C3=NC=CN=C3
CAS RN: 1223748-26-2
CAS Name: 2-[5-[2-(2-methyl-1-imidazolyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
OPENEYE Name: 2-[5-[2-(2-methylimidazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
IUPAC Name: 2-[5-[2-(2-methylimidazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
SYSTEMATIC NAME: 2-[5-[2-(2-methylimidazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
MOLECULAR FORMULA: C10H15N5O
MOLECULAR WEIGHT: 221.259
SMILES: CC1=NC=CN1CCC2=NN=C(O2)CCN
CAS RN: 949100-23-6
CAS Name: N,N-dimethyl-1-[5-(4-piperidinyl)-1,3,4-oxadiazol-2-yl]methanamine
OPENEYE Name: N,N-dimethyl-1-[5-(4-piperidyl)-1,3,4-oxadiazol-2-yl]methanamine
IUPAC Name: N,N-dimethyl-1-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
SYSTEMATIC NAME: N,N-dimethyl-1-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
MOLECULAR FORMULA: C10H18N4O
MOLECULAR WEIGHT: 210.27612
SMILES: CN(C)CC1=NN=C(O1)C2CCNCC2
CAS RN: 1223748-45-5
CAS Name: [5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]methanamine
OPENEYE Name: [5-(5-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]methanamine
IUPAC Name: [5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
SYSTEMATIC NAME: [5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
MOLECULAR FORMULA: C8H9N3OS
MOLECULAR WEIGHT: 195.24156
SMILES: CC1=CC=C(S1)C2=NN=C(O2)CN
CAS RN: 1223748-28-4
CAS Name: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-methylmethanamine
OPENEYE Name: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-methyl-methanamine
IUPAC Name: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-methylmethanamine
SYSTEMATIC NAME: 1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-methyl-methanamine
MOLECULAR FORMULA: C7H11N3O
MOLECULAR WEIGHT: 153.18174
SMILES: CNCC1=NN=C(O1)C2CC2
CAS RN: 1083401-18-6
CAS Name: 3-[2-(dimethylamino)-4-pyrimidinyl]benzoic acid
OPENEYE Name: 3-[2-(dimethylamino)pyrimidin-4-yl]benzoic acid
IUPAC Name: 3-[2-(dimethylamino)pyrimidin-4-yl]benzoic acid
SYSTEMATIC NAME: 3-[2-(dimethylamino)pyrimidin-4-yl]benzoic acid
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: CN(C)C1=NC=CC(=N1)C2=CC(=CC=C2)C(=O)O
CAS RN: 956128-01-1
CAS Name: 3-[[5-[3-(dimethylamino)phenoxy]-2-pyrimidinyl]amino]phenol
OPENEYE Name: 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol
IUPAC Name: 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol
SYSTEMATIC NAME: 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol
MOLECULAR FORMULA: C18H18N4O2
MOLECULAR WEIGHT: 322.36112
SMILES: CN(C)C1=CC(=CC=C1)OC2=CN=C(N=C2)NC3=CC(=CC=C3)O
CAS RN: 1151665-15-4
CAS Name: 2-chloro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-chloro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
IUPAC Name: tert-butyl 2-chloro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SYSTEMATIC NAME: tert-butyl 2-chloranyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
MOLECULAR FORMULA: C13H17ClN2O2
MOLECULAR WEIGHT: 268.73928
SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=N2)Cl
CAS RN: 1223748-29-5
CAS Name: 2-[3-(4-cyanophenyl)-2-oxo-1-imidazolidinyl]acetic acid
OPENEYE Name: 2-[3-(4-cyanophenyl)-2-oxo-imidazolidin-1-yl]acetic acid
IUPAC Name: 2-[3-(4-cyanophenyl)-2-oxoimidazolidin-1-yl]acetic acid
SYSTEMATIC NAME: 2-[3-(4-cyanophenyl)-2-oxidanylidene-imidazolidin-1-yl]ethanoic acid
MOLECULAR FORMULA: C12H11N3O3
MOLECULAR WEIGHT: 245.23404
SMILES: C1CN(C(=O)N1CC(=O)O)C2=CC=C(C=C2)C#N
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