CAS RN: 51347-04-7
CAS Name: (3S,6S)-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
OPENEYE Name: (3S,6S)-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
IUPAC Name: (3S,6S)-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
SYSTEMATIC NAME: (3S,6S)-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
MOLECULAR FORMULA: C8H14N2O4
MOLECULAR WEIGHT: 202.20776
SMILES: C(CO)[C@H]1C(=O)N[C@H](C(=O)N1)CCO
Structure:
CAS RN: 400737-90-8
CAS Name: 1-[4-(hydroxymethylsulfonyl)phenyl]-2-pyrrolidinone
OPENEYE Name: 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
IUPAC Name: 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
MOLECULAR FORMULA: C11H13NO4S
MOLECULAR WEIGHT: 255.29022
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)CO
Structure:
CAS RN: 29886-64-4
CAS Name: 4-(3-thiophenyl)benzoic acid
OPENEYE Name: 4-(3-thienyl)benzoic acid
IUPAC Name: 4-thiophen-3-ylbenzoic acid
SYSTEMATIC NAME: 4-thiophen-3-ylbenzoic acid
MOLECULAR FORMULA: C11H8O2S
MOLECULAR WEIGHT: 204.24502
SMILES: C1=CC(=CC=C1C2=CSC=C2)C(=O)O
Structure:
CAS RN: 40816-40-8
CAS Name: 1-(4-fluorophenyl)-N-methylmethanamine
OPENEYE Name: 1-(4-fluorophenyl)-N-methyl-methanamine
IUPAC Name: 1-(4-fluorophenyl)-N-methylmethanamine
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-methyl-methanamine
MOLECULAR FORMULA: C8H10FN
MOLECULAR WEIGHT: 139.170103
SMILES: CNCC1=CC=C(C=C1)F
Structure:
CAS RN: 405-66-3
CAS Name: 1-(4-fluorophenyl)-N-methylmethanamine
OPENEYE Name: 1-(4-fluorophenyl)-N-methyl-methanamine
IUPAC Name: 1-(4-fluorophenyl)-N-methylmethanamine
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-methyl-methanamine
MOLECULAR FORMULA: C8H10FN
MOLECULAR WEIGHT: 139.170103
SMILES: CNCC1=CC=C(C=C1)F
Structure:
CAS RN: 14360-64-6
CAS Name: (2R)-2-amino-2-cyclohexylacetic acid
OPENEYE Name: (2R)-2-amino-2-cyclohexyl-acetic acid
IUPAC Name: (2R)-2-amino-2-cyclohexylacetic acid
SYSTEMATIC NAME: (2R)-2-azanyl-2-cyclohexyl-ethanoic acid
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: C1CCC(CC1)[C@H](C(=O)O)N
Structure:
CAS RN: 14328-51-9
CAS Name: (2S)-2-amino-2-cyclohexylacetic acid
OPENEYE Name: (2S)-2-amino-2-cyclohexyl-acetic acid
IUPAC Name: (2S)-2-amino-2-cyclohexylacetic acid
SYSTEMATIC NAME: (2S)-2-azanyl-2-cyclohexyl-ethanoic acid
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: C1CCC(CC1)[C@@H](C(=O)O)N
Structure:
CAS RN: 14360-00-0
CAS Name: (2S)-2-amino-2-cyclohexylacetic acid
OPENEYE Name: (2S)-2-amino-2-cyclohexyl-acetic acid
IUPAC Name: (2S)-2-amino-2-cyclohexylacetic acid
SYSTEMATIC NAME: (2S)-2-azanyl-2-cyclohexyl-ethanoic acid
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: C1CCC(CC1)[C@@H](C(=O)O)N
Structure:
CAS RN: 86847-64-5
CAS Name: N-(3-formyl-2-pyridinyl)-2,2-dimethylpropanamide
OPENEYE Name: N-(3-formyl-2-pyridyl)-2,2-dimethyl-propanamide
IUPAC Name: N-(3-formylpyridin-2-yl)-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-(3-methanoylpyridin-2-yl)-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: CC(C)(C)C(=O)NC1=C(C=CC=N1)C=O
Structure:
CAS RN: 318280-71-6
CAS Name: 1-(2-chloro-1-oxoethyl)-4-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
IUPAC Name: ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(2-chloranylethanoyl)piperidine-4-carboxylate
MOLECULAR FORMULA: C10H16ClNO3
MOLECULAR WEIGHT: 233.69194
SMILES: CCOC(=O)C1CCN(CC1)C(=O)CCl
Structure:
CAS RN: 2362-64-3
CAS Name: 4-methoxybenzenecarbothioamide
OPENEYE Name: 4-methoxybenzenecarbothioamide
IUPAC Name: 4-methoxybenzenecarbothioamide
SYSTEMATIC NAME: 4-methoxybenzenecarbothioamide
MOLECULAR FORMULA: C8H9NOS
MOLECULAR WEIGHT: 167.22816
SMILES: COC1=CC=C(C=C1)C(=S)N
Structure:
CAS RN: 2362-63-2
CAS Name: 3-methylbenzenecarbothioamide
OPENEYE Name: 3-methylbenzenecarbothioamide
IUPAC Name: 3-methylbenzenecarbothioamide
SYSTEMATIC NAME: 3-methylbenzenecarbothioamide
MOLECULAR FORMULA: C8H9NS
MOLECULAR WEIGHT: 151.22876
SMILES: CC1=CC=CC(=C1)C(=S)N
Structure:
CAS RN: 144222-22-0
CAS Name: 4-(aminomethyl)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
IUPAC Name: tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CN
Structure:
CAS RN: 50506-25-7
CAS Name: (1S,2R)-3-methylenecyclopropane-1,2-dicarboxylic acid
OPENEYE Name: (1S,2R)-3-methylenecyclopropane-1,2-dicarboxylic acid
IUPAC Name: (1S,2R)-3-methylidenecyclopropane-1,2-dicarboxylic acid
SYSTEMATIC NAME: (1S,2R)-3-methylidenecyclopropane-1,2-dicarboxylic acid
MOLECULAR FORMULA: C6H6O4
MOLECULAR WEIGHT: 142.10944
SMILES: C=C1[C@@H]([C@@H]1C(=O)O)C(=O)O
Structure:
CAS RN: 67952-44-7
CAS Name: [1-(phenylmethyl)-4-piperidinyl]methanol
OPENEYE Name: (1-benzyl-4-piperidyl)methanol
IUPAC Name: (1-benzylpiperidin-4-yl)methanol
SYSTEMATIC NAME: [1-(phenylmethyl)piperidin-4-yl]methanol
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: C1CN(CCC1CO)CC2=CC=CC=C2
Structure:
CAS RN: 35590-37-5
CAS Name: 5-bromo-3-pyridinecarbonitrile
OPENEYE Name: 5-bromopyridine-3-carbonitrile
IUPAC Name: 5-bromopyridine-3-carbonitrile
SYSTEMATIC NAME: 5-bromanylpyridine-3-carbonitrile
MOLECULAR FORMULA: C6H3BrN2
MOLECULAR WEIGHT: 183.00542
SMILES: C1=C(C=NC=C1Br)C#N
Structure:
CAS RN: 5337-79-1
CAS Name: (E)-3-pyridin-4-yl-2-propenoic acid
OPENEYE Name: (E)-3-(4-pyridyl)prop-2-enoic acid
IUPAC Name: (E)-3-pyridin-4-ylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-pyridin-4-ylprop-2-enoic acid
MOLECULAR FORMULA: C8H7NO2
MOLECULAR WEIGHT: 149.14668
SMILES: C1=CN=CC=C1/C=C/C(=O)O
Structure:
CAS RN: 85606-67-3
CAS Name: (E)-3-pyridin-4-yl-2-propenoic acid
OPENEYE Name: (E)-3-(4-pyridyl)prop-2-enoic acid
IUPAC Name: (E)-3-pyridin-4-ylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-pyridin-4-ylprop-2-enoic acid
MOLECULAR FORMULA: C8H7NO2
MOLECULAR WEIGHT: 149.14668
SMILES: C1=CN=CC=C1/C=C/C(=O)O
Structure:
CAS RN: 78818-15-2
CAS Name: 3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 3-oxopiperazine-1-carboxylate
IUPAC Name: benzyl 3-oxopiperazine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate
MOLECULAR FORMULA: C12H14N2O3
MOLECULAR WEIGHT: 234.25116
SMILES: C1CN(CC(=O)N1)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 306935-28-4
CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furancarboxylic acid
OPENEYE Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylic acid
IUPAC Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
SYSTEMATIC NAME: 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylic acid
MOLECULAR FORMULA: C11H11BrN2O3
MOLECULAR WEIGHT: 299.12064
SMILES: CC1=C(C(=NN1CC2=CC=C(O2)C(=O)O)C)Br
Structure:
CAS RN: 151293-15-1
CAS Name: 5-(4-methylphenyl)-1H-pyrazol-3-amine
OPENEYE Name: 5-(p-tolyl)-1H-pyrazol-3-amine
IUPAC Name: 5-(4-methylphenyl)-1H-pyrazol-3-amine
SYSTEMATIC NAME: 5-(4-methylphenyl)-1H-pyrazol-3-amine
MOLECULAR FORMULA: C10H11N3
MOLECULAR WEIGHT: 173.21444
SMILES: CC1=CC=C(C=C1)C2=CC(=NN2)N
Structure:
CAS RN: 4743-57-1
CAS Name: (2Z)-2-(3-oxo-1-isobenzofuranylidene)acetic acid
OPENEYE Name: (2Z)-2-(3-oxoisobenzofuran-1-ylidene)acetic acid
IUPAC Name: (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid
SYSTEMATIC NAME: (2Z)-2-(3-oxidanylidene-2-benzofuran-1-ylidene)ethanoic acid
MOLECULAR FORMULA: C10H6O4
MOLECULAR WEIGHT: 190.15224
SMILES: C1=CC=C2C(=C1)/C(=C/C(=O)O)/OC2=O
Structure:
CAS RN: 4829-64-5
CAS Name: (2Z)-2-(3-oxo-1-isobenzofuranylidene)acetic acid
OPENEYE Name: (2Z)-2-(3-oxoisobenzofuran-1-ylidene)acetic acid
IUPAC Name: (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid
SYSTEMATIC NAME: (2Z)-2-(3-oxidanylidene-2-benzofuran-1-ylidene)ethanoic acid
MOLECULAR FORMULA: C10H6O4
MOLECULAR WEIGHT: 190.15224
SMILES: C1=CC=C2C(=C1)/C(=C/C(=O)O)/OC2=O
Structure:
CAS RN: 175203-24-4
CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzoic acid
OPENEYE Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid
IUPAC Name: 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
SYSTEMATIC NAME: 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid
MOLECULAR FORMULA: C13H13BrN2O2
MOLECULAR WEIGHT: 309.15852
SMILES: CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)O)C)Br
Structure:
CAS RN: 351-38-2
CAS Name: 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide
OPENEYE Name: 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC Name: 2-chloro-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C9H7ClF3NO
MOLECULAR WEIGHT: 237.60619
SMILES: C1=CC(=CC(=C1)NC(=O)CCl)C(F)(F)F
Structure:
CAS RN: 104-98-3
CAS Name: (E)-3-(1H-imidazol-5-yl)-2-propenoic acid
OPENEYE Name: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
IUPAC Name: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=C(NC=N1)/C=C/C(=O)O
Structure:
CAS RN: 7699-35-6
CAS Name: (E)-3-(1H-imidazol-5-yl)-2-propenoic acid
OPENEYE Name: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
IUPAC Name: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=C(NC=N1)/C=C/C(=O)O
Structure:
CAS RN: 3465-72-3
CAS Name: (E)-3-(1H-imidazol-5-yl)-2-propenoic acid
OPENEYE Name: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
IUPAC Name: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=C(NC=N1)/C=C/C(=O)O
Structure:
CAS RN: 7699-36-7
CAS Name: (E)-3-(1H-imidazol-5-yl)-2-propenoic acid
OPENEYE Name: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
IUPAC Name: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=C(NC=N1)/C=C/C(=O)O
Structure:
CAS RN: 6285-96-7
CAS Name: (E)-3-(4-phenylmethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-benzyloxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C(=O)O
Structure:
CAS RN: 55629-54-4
CAS Name: (E)-2-cyano-3-(4-nitrophenyl)-2-propenamide
OPENEYE Name: (E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
IUPAC Name: (E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
MOLECULAR FORMULA: C10H7N3O3
MOLECULAR WEIGHT: 217.18088
SMILES: C1=CC(=CC=C1/C=C(\C#N)/C(=O)N)[N+](=O)[O-]
Structure:
CAS RN: 4046-02-0
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: CCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 16886-08-1
CAS Name: (5R)-5-ethyl-5-methylimidazolidine-2,4-dione
OPENEYE Name: (5R)-5-ethyl-5-methyl-imidazolidine-2,4-dione
IUPAC Name: (5R)-5-ethyl-5-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: (5R)-5-ethyl-5-methyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: CC[C@@]1(C(=O)NC(=O)N1)C
Structure:
CAS RN: 16820-12-5
CAS Name: (5R)-5-ethyl-5-methylimidazolidine-2,4-dione
OPENEYE Name: (5R)-5-ethyl-5-methyl-imidazolidine-2,4-dione
IUPAC Name: (5R)-5-ethyl-5-methylimidazolidine-2,4-dione
SYSTEMATIC NAME: (5R)-5-ethyl-5-methyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C6H10N2O2
MOLECULAR WEIGHT: 142.1558
SMILES: CC[C@@]1(C(=O)NC(=O)N1)C
Structure:
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