CAS RN: 850349-18-7
CAS Name: 2-[(2-bromo-3-pyridinyl)oxy]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[(2-bromo-3-pyridyl)oxy]acetate
IUPAC Name: ethyl 2-(2-bromopyridin-3-yl)oxyacetate
SYSTEMATIC NAME: ethyl 2-(2-bromanylpyridin-3-yl)oxyethanoate
MOLECULAR FORMULA: C9H10BrNO3
MOLECULAR WEIGHT: 260.0846
SMILES: CCOC(=O)COC1=C(N=CC=C1)Br
Structure:
CAS RN: 444892-03-9
CAS Name: (3S)-3-(2-methylpropyl)-1-(phenylmethyl)piperazine
OPENEYE Name: (3S)-1-benzyl-3-isobutyl-piperazine
IUPAC Name: (3S)-1-benzyl-3-(2-methylpropyl)piperazine
SYSTEMATIC NAME: (3S)-3-(2-methylpropyl)-1-(phenylmethyl)piperazine
MOLECULAR FORMULA: C15H24N2
MOLECULAR WEIGHT: 232.36446
SMILES: CC(C)C[C@H]1CN(CCN1)CC2=CC=CC=C2
Structure:
CAS RN: 891781-89-8
CAS Name: 4-dimethoxyphosphoryl-1-piperidinecarboxylic acid methyl ester
OPENEYE Name: methyl 4-dimethoxyphosphorylpiperidine-1-carboxylate
IUPAC Name: methyl 4-dimethoxyphosphorylpiperidine-1-carboxylate
SYSTEMATIC NAME: methyl 4-dimethoxyphosphorylpiperidine-1-carboxylate
MOLECULAR FORMULA: C9H18NO5P
MOLECULAR WEIGHT: 251.216681
SMILES: COC(=O)N1CCC(CC1)P(=O)(OC)OC
Structure:
CAS RN: 883554-90-3
CAS Name: N-(4-aminophenyl)-N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(4-aminophenyl)-N-tert-butoxycarbonyl-carbamate
IUPAC Name: tert-butyl N-(4-aminophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SYSTEMATIC NAME: tert-butyl N-(4-aminophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
MOLECULAR FORMULA: C16H24N2O4
MOLECULAR WEIGHT: 308.37276
SMILES: CC(C)(C)OC(=O)N(C1=CC=C(C=C1)N)C(=O)OC(C)(C)C
Structure:
CAS RN: 883554-89-0
CAS Name: N-(3-aminophenyl)-N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(3-aminophenyl)-N-tert-butoxycarbonyl-carbamate
IUPAC Name: tert-butyl N-(3-aminophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SYSTEMATIC NAME: tert-butyl N-(3-aminophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
MOLECULAR FORMULA: C16H24N2O4
MOLECULAR WEIGHT: 308.37276
SMILES: CC(C)(C)OC(=O)N(C1=CC=CC(=C1)N)C(=O)OC(C)(C)C
Structure:
CAS RN: 824429-53-0
CAS Name: N-[3-(dimethoxymethyl)-2-pyridinyl]-2,2-dimethylpropanamide
OPENEYE Name: N-[3-(dimethoxymethyl)-2-pyridyl]-2,2-dimethyl-propanamide
IUPAC Name: N-[3-(dimethoxymethyl)pyridin-2-yl]-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-[3-(dimethoxymethyl)pyridin-2-yl]-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C13H20N2O3
MOLECULAR WEIGHT: 252.3095
SMILES: CC(C)(C)C(=O)NC1=C(C=CC=N1)C(OC)OC
Structure:
CAS RN: 824429-52-9
CAS Name: N-[3-(dimethoxymethyl)-4-pyridinyl]-2,2-dimethylpropanamide
OPENEYE Name: N-[3-(dimethoxymethyl)-4-pyridyl]-2,2-dimethyl-propanamide
IUPAC Name: N-[3-(dimethoxymethyl)pyridin-4-yl]-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-[3-(dimethoxymethyl)pyridin-4-yl]-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C13H20N2O3
MOLECULAR WEIGHT: 252.3095
SMILES: CC(C)(C)C(=O)NC1=C(C=NC=C1)C(OC)OC
Structure:
CAS RN: 824429-54-1
CAS Name: 1-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2,2-dimethyl-1-propanone
OPENEYE Name: 1-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2,2-dimethyl-propan-1-one
IUPAC Name: 1-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2,2-dimethylpropan-1-one
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2,2-dimethyl-propan-1-one
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CC(C)(C)C(=O)N1CCCC2=C1N=CC=C2
Structure:
CAS RN: 766557-59-9
CAS Name: N-[3-(tert-butylthio)-4-pyridinyl]-2,2-dimethylpropanamide
OPENEYE Name: N-(3-tert-butylsulfanyl-4-pyridyl)-2,2-dimethyl-propanamide
IUPAC Name: N-(3-tert-butylsulfanylpyridin-4-yl)-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-(3-tert-butylsulfanylpyridin-4-yl)-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C14H22N2OS
MOLECULAR WEIGHT: 266.40228
SMILES: CC(C)(C)C(=O)NC1=C(C=NC=C1)SC(C)(C)C
Structure:
CAS RN: 653584-64-6
CAS Name: N-[4-(hydroxymethyl)-3-pyridinyl]-2,2-dimethylpropanamide
OPENEYE Name: N-[4-(hydroxymethyl)-3-pyridyl]-2,2-dimethyl-propanamide
IUPAC Name: N-[4-(hydroxymethyl)pyridin-3-yl]-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-[4-(hydroxymethyl)pyridin-3-yl]-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C11H16N2O2
MOLECULAR WEIGHT: 208.25694
SMILES: CC(C)(C)C(=O)NC1=C(C=CN=C1)CO
Structure:
CAS RN: 628725-28-0
CAS Name: (3S,4R)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid
OPENEYE Name: (3S,4R)-1-benzyl-4-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylic acid
IUPAC Name: (3S,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: (3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C17H24N2O4
MOLECULAR WEIGHT: 320.38346
SMILES: CC(C)(C)OC(=O)N[C@H]1CN(C[C@@H]1C(=O)O)CC2=CC=CC=C2
Structure:
CAS RN: 22772-37-8
CAS Name: 3-(cyanomethyl)-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
OPENEYE Name: 3-(cyanomethyl)-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
IUPAC Name: 3-(cyanomethyl)-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
SYSTEMATIC NAME: 3-(cyanomethyl)-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
MOLECULAR FORMULA: C11H9N3O3
MOLECULAR WEIGHT: 231.20746
SMILES: COC1=NC=C2C(=C1)C(=C(N2)C(=O)O)CC#N
Structure:
CAS RN: 411239-11-7
CAS Name: 3-[(dimethylamino)methyl]-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
IUPAC Name: ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
MOLECULAR FORMULA: C14H19N3O3
MOLECULAR WEIGHT: 277.31896
SMILES: CCOC(=O)C1=C(C2=CC(=NC=C2N1)OC)CN(C)C
Structure:
CAS RN: 46399-68-2
CAS Name: 1-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine
OPENEYE Name: 1-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethyl-methanamine
IUPAC Name: 1-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethylmethanamine
SYSTEMATIC NAME: 1-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-N,N-dimethyl-methanamine
MOLECULAR FORMULA: C11H15N3O
MOLECULAR WEIGHT: 205.2563
SMILES: CN(C)CC1=CNC2=C1N=C(C=C2)OC
Structure:
CAS RN: 903130-30-3
CAS Name: 3-chloro-7-[(2-methylpropan-2-yl)oxy-oxomethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
OPENEYE Name: 7-tert-butoxycarbonyl-3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
IUPAC Name: 3-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
SYSTEMATIC NAME: 3-chloranyl-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid
MOLECULAR FORMULA: C12H16ClN3O4
MOLECULAR WEIGHT: 301.72614
SMILES: CC(C)(C)OC(=O)N1CCN2C(=NC(=C2Cl)C(=O)O)C1
Structure:
CAS RN: 903130-23-4
CAS Name: 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
IUPAC Name: ethyl 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
SYSTEMATIC NAME: ethyl 3-chloranyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
MOLECULAR FORMULA: C9H12ClN3O2
MOLECULAR WEIGHT: 229.66348
SMILES: CCOC(=O)C1=C(N2CCNCC2=N1)Cl
Structure:
CAS RN: 723286-80-4
CAS Name: 3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
IUPAC Name: tert-butyl 3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
SYSTEMATIC NAME: tert-butyl 3-bromanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
MOLECULAR FORMULA: C10H15BrN4O2
MOLECULAR WEIGHT: 303.1557
SMILES: CC(C)(C)OC(=O)N1CCN2C(=NN=C2Br)C1
Structure:
CAS RN: 903129-94-2
CAS Name: 4-chloro-6-pyrrolo[2,1-f][1,2,4]triazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
IUPAC Name: ethyl 4-chloropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-chloranylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
MOLECULAR FORMULA: C9H8ClN3O2
MOLECULAR WEIGHT: 225.63172
SMILES: CCOC(=O)C1=CN2C(=C1)C(=NC=N2)Cl
Structure:
CAS RN: 427878-41-9
CAS Name: 4-chloro-5-methyl-6-pyrrolo[2,1-f][1,2,4]triazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-chloro-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
IUPAC Name: ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-chloranyl-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
MOLECULAR FORMULA: C10H10ClN3O2
MOLECULAR WEIGHT: 239.6583
SMILES: CCOC(=O)C1=CN2C(=C1C)C(=NC=N2)Cl
Structure:
CAS RN: 345311-09-3
CAS Name: 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
OPENEYE Name: 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
IUPAC Name: 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SYSTEMATIC NAME: 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
MOLECULAR FORMULA: C5H8N4
MOLECULAR WEIGHT: 124.14382
SMILES: C1CN2C=NN=C2CN1
Structure:
CAS RN: 635698-56-5
CAS Name: 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
IUPAC Name: tert-butyl 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: tert-butyl 2,4-bis(chloranyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C12H15Cl2N3O2
MOLECULAR WEIGHT: 304.1724
SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C(=NC(=N2)Cl)Cl
Structure:
CAS RN: 903129-71-5
CAS Name: 2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
IUPAC Name: tert-butyl 2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: tert-butyl 2,4-bis(chloranyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C11H13Cl2N3O2
MOLECULAR WEIGHT: 290.14582
SMILES: CC(C)(C)OC(=O)N1CC2=C(C1)N=C(N=C2Cl)Cl
Structure:
CAS RN: 551950-44-8
CAS Name: N-[3-(tert-butylthio)-2-pyridinyl]-2,2-dimethylpropanamide
OPENEYE Name: N-(3-tert-butylsulfanyl-2-pyridyl)-2,2-dimethyl-propanamide
IUPAC Name: N-(3-tert-butylsulfanylpyridin-2-yl)-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-(3-tert-butylsulfanylpyridin-2-yl)-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C14H22N2OS
MOLECULAR WEIGHT: 266.40228
SMILES: CC(C)(C)C(=O)NC1=C(C=CC=N1)SC(C)(C)C
Structure:
CAS RN: 112641-25-5
CAS Name: 1-chloro-3-methyl-2-(trifluoromethyl)benzene
OPENEYE Name: 1-chloro-3-methyl-2-(trifluoromethyl)benzene
IUPAC Name: 1-chloro-3-methyl-2-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-3-methyl-2-(trifluoromethyl)benzene
MOLECULAR FORMULA: C8H6ClF3
MOLECULAR WEIGHT: 194.58145
SMILES: CC1=C(C(=CC=C1)Cl)C(F)(F)F
Structure:
CAS RN: 850565-37-6
CAS Name: 2-(4-fluoro-3-methoxyphenyl)acetonitrile
OPENEYE Name: 2-(4-fluoro-3-methoxy-phenyl)acetonitrile
IUPAC Name: 2-(4-fluoro-3-methoxyphenyl)acetonitrile
SYSTEMATIC NAME: 2-(4-fluoranyl-3-methoxy-phenyl)ethanenitrile
MOLECULAR FORMULA: C9H8FNO
MOLECULAR WEIGHT: 165.164323
SMILES: COC1=C(C=CC(=C1)CC#N)F
Structure:
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