CAS RN: 937602-15-8
CAS Name: N-methyl-5-(trifluoromethyl)-2-pyridinamine
OPENEYE Name: N-methyl-5-(trifluoromethyl)pyridin-2-amine
IUPAC Name: N-methyl-5-(trifluoromethyl)pyridin-2-amine
SYSTEMATIC NAME: N-methyl-5-(trifluoromethyl)pyridin-2-amine
MOLECULAR FORMULA: C7H7F3N2
MOLECULAR WEIGHT: 176.13909
SMILES: CNC1=NC=C(C=C1)C(F)(F)F
Structure:
CAS RN: 154924-17-1
CAS Name: 6-(dimethylamino)-3-pyridinecarbonitrile
OPENEYE Name: 6-(dimethylamino)pyridine-3-carbonitrile
IUPAC Name: 6-(dimethylamino)pyridine-3-carbonitrile
SYSTEMATIC NAME: 6-(dimethylamino)pyridine-3-carbonitrile
MOLECULAR FORMULA: C8H9N3
MOLECULAR WEIGHT: 147.17716
SMILES: CN(C)C1=NC=C(C=C1)C#N
Structure:
CAS RN: 390815-48-2
CAS Name: 2-amino-2-[4-(trifluoromethyl)phenyl]acetic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate hydrochloride
IUPAC Name: methyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate hydrochloride
SYSTEMATIC NAME: methyl 2-azanyl-2-[4-(trifluoromethyl)phenyl]ethanoate hydrochloride
MOLECULAR FORMULA: C10H11ClF3NO2
MOLECULAR WEIGHT: 269.64805
SMILES: COC(=O)C(C1=CC=C(C=C1)C(F)(F)F)N.Cl
Structure:
CAS RN: 85345-11-5
CAS Name: 1-(4-formylphenyl)-4-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(4-formylphenyl)piperidine-4-carboxylate
IUPAC Name: ethyl 1-(4-formylphenyl)piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(4-methanoylphenyl)piperidine-4-carboxylate
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)C=O
Structure:
CAS RN: 886362-07-8
CAS Name: 4-methoxy-1H-indazol-3-amine
OPENEYE Name: 4-methoxy-1H-indazol-3-amine
IUPAC Name: 4-methoxy-1H-indazol-3-amine
SYSTEMATIC NAME: 4-methoxy-1H-indazol-3-amine
MOLECULAR FORMULA: C8H9N3O
MOLECULAR WEIGHT: 163.17656
SMILES: COC1=CC=CC2=C1C(=NN2)N
Structure:
CAS RN: 937601-54-2
CAS Name: 5-oxo-1-[1-(phenylmethyl)-4-piperidinyl]-3-pyrrolidinecarboxylic acid methyl ester
OPENEYE Name: methyl 1-(1-benzyl-4-piperidyl)-5-oxo-pyrrolidine-3-carboxylate
IUPAC Name: methyl 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: methyl 5-oxidanylidene-1-[1-(phenylmethyl)piperidin-4-yl]pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C18H24N2O3
MOLECULAR WEIGHT: 316.39476
SMILES: COC(=O)C1CC(=O)N(C1)C2CCN(CC2)CC3=CC=CC=C3
Structure:
CAS RN: 558465-93-3
CAS Name: (2,5-dichloro-3-pyridinyl)methanol
OPENEYE Name: (2,5-dichloro-3-pyridyl)methanol
IUPAC Name: (2,5-dichloropyridin-3-yl)methanol
SYSTEMATIC NAME: [2,5-bis(chloranyl)pyridin-3-yl]methanol
MOLECULAR FORMULA: C6H5Cl2NO
MOLECULAR WEIGHT: 178.016
SMILES: C1=C(C(=NC=C1Cl)Cl)CO
Structure:
CAS RN: 219540-76-8
CAS Name: 4-piperidinyl(thiophen-2-yl)methanone hydrochloride
OPENEYE Name: 4-piperidyl(2-thienyl)methanone hydrochloride
IUPAC Name: piperidin-4-yl(thiophen-2-yl)methanone hydrochloride
SYSTEMATIC NAME: piperidin-4-yl(thiophen-2-yl)methanone hydrochloride
MOLECULAR FORMULA: C10H14ClNOS
MOLECULAR WEIGHT: 231.74226
SMILES: C1CNCCC1C(=O)C2=CC=CS2.Cl
Structure:
CAS RN: 550363-85-4
CAS Name: 2-fluoro-5-formylbenzoic acid
OPENEYE Name: 2-fluoro-5-formyl-benzoic acid
IUPAC Name: 2-fluoro-5-formylbenzoic acid
SYSTEMATIC NAME: 2-fluoranyl-5-methanoyl-benzoic acid
MOLECULAR FORMULA: C8H5FO3
MOLECULAR WEIGHT: 168.121903
SMILES: C1=CC(=C(C=C1C=O)C(=O)O)F
Structure:
CAS RN: 887922-90-9
CAS Name: 4-(1-pyrazolylmethyl)benzaldehyde
OPENEYE Name: 4-(pyrazol-1-ylmethyl)benzaldehyde
IUPAC Name: 4-(pyrazol-1-ylmethyl)benzaldehyde
SYSTEMATIC NAME: 4-(pyrazol-1-ylmethyl)benzaldehyde
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: C1=CN(N=C1)CC2=CC=C(C=C2)C=O
Structure:
CAS RN: 884507-31-7
CAS Name: 4-(4-cyano-2-pyridinyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(4-cyano-2-pyridyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(4-cyanopyridin-2-yl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(4-cyanopyridin-2-yl)piperazine-1-carboxylate
MOLECULAR FORMULA: C15H20N4O2
MOLECULAR WEIGHT: 288.3449
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CC(=C2)C#N
Structure:
CAS RN: 859850-99-0
CAS Name: 2-(3-chlorophenyl)-4-thiazolecarboxaldehyde
OPENEYE Name: 2-(3-chlorophenyl)thiazole-4-carbaldehyde
IUPAC Name: 2-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde
SYSTEMATIC NAME: 2-(3-chlorophenyl)-1,3-thiazole-4-carbaldehyde
MOLECULAR FORMULA: C10H6ClNOS
MOLECULAR WEIGHT: 223.67874
SMILES: C1=CC(=CC(=C1)Cl)C2=NC(=CS2)C=O
Structure:
CAS RN: 852180-73-5
CAS Name: 4-(2-methyl-4-thiazolyl)benzenesulfonyl chloride
OPENEYE Name: 4-(2-methylthiazol-4-yl)benzenesulfonyl chloride
IUPAC Name: 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl chloride
SYSTEMATIC NAME: 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl chloride
MOLECULAR FORMULA: C10H8ClNO2S2
MOLECULAR WEIGHT: 273.75902
SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)Cl
Structure:
CAS RN: 869901-24-6
CAS Name: tributyl-[6-(4-morpholinyl)-2-pyridinyl]stannane
OPENEYE Name: tributyl-(6-morpholino-2-pyridyl)stannane
IUPAC Name: tributyl-(6-morpholin-4-ylpyridin-2-yl)stannane
SYSTEMATIC NAME: tributyl-(6-morpholin-4-ylpyridin-2-yl)stannane
MOLECULAR FORMULA: C21H38N2OSn
MOLECULAR WEIGHT: 453.24922
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=CC(=N1)N2CCOCC2
Structure:
CAS RN: 885465-97-4
CAS Name: 3-(2-thiazolyl)benzaldehyde
OPENEYE Name: 3-thiazol-2-ylbenzaldehyde
IUPAC Name: 3-(1,3-thiazol-2-yl)benzaldehyde
SYSTEMATIC NAME: 3-(1,3-thiazol-2-yl)benzaldehyde
MOLECULAR FORMULA: C10H7NOS
MOLECULAR WEIGHT: 189.23368
SMILES: C1=CC(=CC(=C1)C=O)C2=NC=CS2
Structure:
CAS RN: 889939-82-6
CAS Name: 1-(2-propan-2-yloxyethyl)piperazine
OPENEYE Name: 1-(2-isopropoxyethyl)piperazine
IUPAC Name: 1-(2-propan-2-yloxyethyl)piperazine
SYSTEMATIC NAME: 1-(2-propan-2-yloxyethyl)piperazine
MOLECULAR FORMULA: C9H20N2O
MOLECULAR WEIGHT: 172.2679
SMILES: CC(C)OCCN1CCNCC1
Structure:
CAS RN: 4916-13-6
CAS Name: 1-[(4-methoxyphenyl)methyl]-4-triazolecarboxylic acid
OPENEYE Name: 1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
IUPAC Name: 1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
SYSTEMATIC NAME: 1-[(4-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxylic acid
MOLECULAR FORMULA: C11H11N3O3
MOLECULAR WEIGHT: 233.22334
SMILES: COC1=CC=C(C=C1)CN2C=C(N=N2)C(=O)O
Structure:
CAS RN: 889940-10-7
CAS Name: 4-(3-methylphenyl)-4-oxanecarboxylic acid
OPENEYE Name: 4-(m-tolyl)tetrahydropyran-4-carboxylic acid
IUPAC Name: 4-(3-methylphenyl)oxane-4-carboxylic acid
SYSTEMATIC NAME: 4-(3-methylphenyl)oxane-4-carboxylic acid
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: CC1=CC=CC(=C1)C2(CCOCC2)C(=O)O
Structure:
CAS RN: 27578-61-6
CAS Name: 1-(2-aminoethyl)-2-piperidinone
OPENEYE Name: 1-(2-aminoethyl)piperidin-2-one
IUPAC Name: 1-(2-aminoethyl)piperidin-2-one
SYSTEMATIC NAME: 1-(2-azanylethyl)piperidin-2-one
MOLECULAR FORMULA: C7H14N2O
MOLECULAR WEIGHT: 142.19886
SMILES: C1CCN(C(=O)C1)CCN
Structure:
CAS RN: 12026-28-7
CAS Name: oxygen(2-); titanium(4+); dihydroxide
OPENEYE Name: oxygen(2-); titanium(4+); dihydroxide
IUPAC Name: oxygen(2-); titanium(4+); dihydroxide
SYSTEMATIC NAME: oxygen(2-); titanium(4+); dihydroxide
MOLECULAR FORMULA: H2O3Ti
MOLECULAR WEIGHT: 97.88108
SMILES: [OH-].[OH-].[O-2].[Ti+4]
Structure:
CAS RN: 486424-37-7
CAS Name: 3-amino-6-bromo-2-pyrazinecarboxylic acid
OPENEYE Name: 3-amino-6-bromo-pyrazine-2-carboxylic acid
IUPAC Name: 3-amino-6-bromopyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-azanyl-6-bromanyl-pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C5H4BrN3O2
MOLECULAR WEIGHT: 218.00816
SMILES: C1=C(N=C(C(=N1)N)C(=O)O)Br
Structure:
CAS RN: 61367-07-5
CAS Name: 4-amino-1-cyclohexanecarboxylic acid methyl ester hydrochloride
OPENEYE Name: methyl 4-aminocyclohexanecarboxylate hydrochloride
IUPAC Name: methyl 4-aminocyclohexane-1-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 4-azanylcyclohexane-1-carboxylate hydrochloride
MOLECULAR FORMULA: C8H16ClNO2
MOLECULAR WEIGHT: 193.67114
SMILES: COC(=O)C1CCC(CC1)N.Cl
Structure:
CAS RN: 61367-16-6
CAS Name: 4-amino-1-cyclohexanecarboxylic acid methyl ester hydrochloride
OPENEYE Name: methyl 4-aminocyclohexanecarboxylate hydrochloride
IUPAC Name: methyl 4-aminocyclohexane-1-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 4-azanylcyclohexane-1-carboxylate hydrochloride
MOLECULAR FORMULA: C8H16ClNO2
MOLECULAR WEIGHT: 193.67114
SMILES: COC(=O)C1CCC(CC1)N.Cl
Structure:
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