CAS RN: 2709-93-5
CAS Name: 2,2,2-trifluoro-N-(4-hydroxyphenyl)acetamide
OPENEYE Name: 2,2,2-trifluoro-N-(4-hydroxyphenyl)acetamide
IUPAC Name: 2,2,2-trifluoro-N-(4-hydroxyphenyl)acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-(4-hydroxyphenyl)ethanamide
MOLECULAR FORMULA: C8H6F3NO2
MOLECULAR WEIGHT: 205.13395
SMILES: C1=CC(=CC=C1NC(=O)C(F)(F)F)O
Structure:
CAS RN: 84499-38-7
CAS Name: 8-benzofuro[3,2-b]pyridinamine
OPENEYE Name: benzofuro[3,2-b]pyridin-8-amine
IUPAC Name: [1]benzofuro[3,2-b]pyridin-8-amine
SYSTEMATIC NAME: [1]benzofuro[3,2-b]pyridin-8-amine
MOLECULAR FORMULA: C11H8N2O
MOLECULAR WEIGHT: 184.19402
SMILES: C1=CC2=C(C3=C(O2)C=CC(=C3)N)N=C1
Structure:
CAS RN: 32826-78-1
CAS Name: 3-(2-methoxyphenyl)-2-phenylimino-4-thiazolidinone
OPENEYE Name: 3-(2-methoxyphenyl)-2-phenylimino-thiazolidin-4-one
IUPAC Name: 3-(2-methoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-(2-methoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C16H14N2O2S
MOLECULAR WEIGHT: 298.35956
SMILES: COC1=CC=CC=C1N2C(=O)CSC2=NC3=CC=CC=C3
Structure:
CAS RN: 51964-22-8
CAS Name: 3-(4-fluorophenyl)thiazolidine-2,4-dione
OPENEYE Name: 3-(4-fluorophenyl)thiazolidine-2,4-dione
IUPAC Name: 3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C9H6FNO2S
MOLECULAR WEIGHT: 211.212843
SMILES: C1C(=O)N(C(=O)S1)C2=CC=C(C=C2)F
Structure:
CAS RN: 1013-68-9
CAS Name: 3-(3-chlorophenyl)thiazolidine-2,4-dione
OPENEYE Name: 3-(3-chlorophenyl)thiazolidine-2,4-dione
IUPAC Name: 3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C9H6ClNO2S
MOLECULAR WEIGHT: 227.66744
SMILES: C1C(=O)N(C(=O)S1)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 39137-09-2
CAS Name: 3-cyclopropyl-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 3-cyclopropyl-2-thioxo-thiazolidin-4-one
IUPAC Name: 3-cyclopropyl-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-cyclopropyl-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C6H7NOS2
MOLECULAR WEIGHT: 173.25588
SMILES: C1CC1N2C(=O)CSC2=S
Structure:
CAS RN: 59608-51-4
CAS Name: 3-(3,4-dichlorophenyl)thiazolidine-2,4-dione
OPENEYE Name: 3-(3,4-dichlorophenyl)thiazolidine-2,4-dione
IUPAC Name: 3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C9H5Cl2NO2S
MOLECULAR WEIGHT: 262.1125
SMILES: C1C(=O)N(C(=O)S1)C2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 14577-76-5
CAS Name: N-(3,4-dichlorophenyl)carbamic acid (2-methyl-8-quinolinyl) ester
OPENEYE Name: (2-methyl-8-quinolyl) N-(3,4-dichlorophenyl)carbamate
IUPAC Name: (2-methylquinolin-8-yl) N-(3,4-dichlorophenyl)carbamate
SYSTEMATIC NAME: (2-methylquinolin-8-yl) N-(3,4-dichlorophenyl)carbamate
MOLECULAR FORMULA: C17H12Cl2N2O2
MOLECULAR WEIGHT: 347.19538
SMILES: CC1=NC2=C(C=CC=C2OC(=O)NC3=CC(=C(C=C3)Cl)Cl)C=C1
Structure:
CAS RN: 56023-14-4
CAS Name: N-(3,4-dichlorophenyl)-1-benzimidazolecarboxamide
OPENEYE Name: N-(3,4-dichlorophenyl)benzimidazole-1-carboxamide
IUPAC Name: N-(3,4-dichlorophenyl)benzimidazole-1-carboxamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)benzimidazole-1-carboxamide
MOLECULAR FORMULA: C14H9Cl2N3O
MOLECULAR WEIGHT: 306.14676
SMILES: C1=CC=C2C(=C1)N=CN2C(=O)NC3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 5768-34-3
CAS Name: 4-[[2-furanyl(oxo)methyl]amino]benzoic acid
OPENEYE Name: 4-(furan-2-carbonylamino)benzoic acid
IUPAC Name: 4-(furan-2-carbonylamino)benzoic acid
SYSTEMATIC NAME: 4-(furan-2-ylcarbonylamino)benzoic acid
MOLECULAR FORMULA: C12H9NO4
MOLECULAR WEIGHT: 231.20416
SMILES: C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 517-28-2
CAS Name: (6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c][1]benzopyran-3,4,6a,9,10-pentol
OPENEYE Name: (6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
IUPAC Name: (6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
SYSTEMATIC NAME: (6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
MOLECULAR FORMULA: C16H14O6
MOLECULAR WEIGHT: 302.27876
SMILES: C1C2=CC(=C(C=C2[C@@H]3[C@]1(COC4=C3C=CC(=C4O)O)O)O)O
Structure:
CAS RN: 1412-19-7
CAS Name: (6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c][1]benzopyran-3,4,6a,9,10-pentol
OPENEYE Name: (6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
IUPAC Name: (6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
SYSTEMATIC NAME: (6aR,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
MOLECULAR FORMULA: C16H14O6
MOLECULAR WEIGHT: 302.27876
SMILES: C1C2=CC(=C(C=C2[C@@H]3[C@]1(COC4=C3C=CC(=C4O)O)O)O)O
Structure:
CAS RN: 36775-23-2
CAS Name: 2-chloro-N-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)acetamide
OPENEYE Name: 2-chloro-N-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)acetamide
IUPAC Name: 2-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)ethanamide
MOLECULAR FORMULA: C11H21ClN2O2
MOLECULAR WEIGHT: 248.74964
SMILES: CC1(CC(CC(N1O)(C)C)NC(=O)CCl)C
Structure:
CAS RN: 13533-34-1
CAS Name: 4-(thiophen-2-ylmethylideneamino)benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(2-thienylmethyleneamino)benzoate
IUPAC Name: ethyl 4-(thiophen-2-ylmethylideneamino)benzoate
SYSTEMATIC NAME: ethyl 4-(thiophen-2-ylmethylideneamino)benzoate
MOLECULAR FORMULA: C14H13NO2S
MOLECULAR WEIGHT: 259.32352
SMILES: CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=CS2
Structure:
CAS RN: 24096-78-4
CAS Name: 2-hexadecoxy-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
OPENEYE Name: 2-hexadecoxy-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
IUPAC Name: 2-hexadecoxy-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
SYSTEMATIC NAME: 2-hexadecoxy-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
MOLECULAR FORMULA: C31H45N3O8S3
MOLECULAR WEIGHT: 683.8993
SMILES: CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NN=C2N(C3=C(S2)C=CC(=C3)S(=O)(=O)O)C)C(=O)O
Structure:
CAS RN: 3127-36-4
CAS Name: N-[[(2-chlorophenyl)-(4-morpholinyl)methylidene]amino]-1-hexadecanesulfonamide
OPENEYE Name: N-[[(2-chlorophenyl)-morpholino-methylene]amino]hexadecane-1-sulfonamide
IUPAC Name: N-[[(2-chlorophenyl)-morpholin-4-ylmethylidene]amino]hexadecane-1-sulfonamide
SYSTEMATIC NAME: N-[[(2-chlorophenyl)-morpholin-4-yl-methylidene]amino]hexadecane-1-sulfonamide
MOLECULAR FORMULA: C27H46ClN3O3S
MOLECULAR WEIGHT: 528.19044
SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)NN=C(C1=CC=CC=C1Cl)N2CCOCC2
Structure:
CAS RN: 5149-74-6
CAS Name: 3,3-bis(1-piperidinyl)-1H-indol-2-one
OPENEYE Name: 3,3-bis(1-piperidyl)indolin-2-one
IUPAC Name: 3,3-di(piperidin-1-yl)-1H-indol-2-one
SYSTEMATIC NAME: 3,3-di(piperidin-1-yl)-1H-indol-2-one
MOLECULAR FORMULA: C18H25N3O
MOLECULAR WEIGHT: 299.4106
SMILES: C1CCN(CC1)C2(C3=CC=CC=C3NC2=O)N4CCCCC4
Structure:
CAS RN: 35071-94-4
CAS Name: 2-[[(4-chloro-1-hydroxy-2-naphthalenyl)-oxomethyl]amino]-2-methylpropanoic acid
OPENEYE Name: 2-[(4-chloro-1-hydroxy-naphthalene-2-carbonyl)amino]-2-methyl-propanoic acid
IUPAC Name: 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoic acid
SYSTEMATIC NAME: 2-[(4-chloranyl-1-oxidanyl-naphthalen-2-yl)carbonylamino]-2-methyl-propanoic acid
MOLECULAR FORMULA: C15H14ClNO4
MOLECULAR WEIGHT: 307.72896
SMILES: CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C(=C1)Cl)O
Structure:
CAS RN: 38880-71-6
CAS Name: N-[4-[(4-butan-2-ylphenyl)sulfonylamino]-3-hydroxyphenyl]-2-methyl-2-propenamide
OPENEYE Name: N-[3-hydroxy-4-[(4-sec-butylphenyl)sulfonylamino]phenyl]-2-methyl-prop-2-enamide
IUPAC Name: N-[4-[(4-butan-2-ylphenyl)sulfonylamino]-3-hydroxyphenyl]-2-methylprop-2-enamide
SYSTEMATIC NAME: N-[4-[(4-butan-2-ylphenyl)sulfonylamino]-3-oxidanyl-phenyl]-2-methyl-prop-2-enamide
MOLECULAR FORMULA: C20H24N2O4S
MOLECULAR WEIGHT: 388.48056
SMILES: CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)NC(=O)C(=C)C)O
Structure:
CAS RN: 73246-54-5
CAS Name: 3,10-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid methyl ester
OPENEYE Name: methyl 3,10-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
IUPAC Name: methyl 3,10-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
SYSTEMATIC NAME: methyl 2,4a,6a,6a,9,14a-hexamethyl-3,10-bis(oxidanyl)-11-oxidanylidene-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
MOLECULAR FORMULA: C30H40O5
MOLECULAR WEIGHT: 480.6356
SMILES: CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(C(C5)O)(C)C(=O)OC)C)C)C)C)O
Structure:
CAS RN: 16081-12-2
CAS Name: 1-phenyl-2-(4-phenyldiazenylphenyl)hydrazine
OPENEYE Name: 1-phenyl-2-(4-phenylazophenyl)hydrazine
IUPAC Name: 1-phenyl-2-(4-phenyldiazenylphenyl)hydrazine
SYSTEMATIC NAME: 1-phenyl-2-(4-phenyldiazenylphenyl)diazane
MOLECULAR FORMULA: C18H16N4
MOLECULAR WEIGHT: 288.34644
SMILES: C1=CC=C(C=C1)NNC2=CC=C(C=C2)N=NC3=CC=CC=C3
Structure:
CAS RN: 19433-12-6
CAS Name: acetic acid (pyridin-4-ylmethylideneamino) ester
OPENEYE Name: (4-pyridylmethyleneamino) acetate
IUPAC Name: (pyridin-4-ylmethylideneamino) acetate
SYSTEMATIC NAME: (pyridin-4-ylmethylideneamino) ethanoate
MOLECULAR FORMULA: C8H8N2O2
MOLECULAR WEIGHT: 164.16132
SMILES: CC(=O)ON=CC1=CC=NC=C1
Structure:
CAS RN: 26790-94-3
CAS Name: 6-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,2-dimethyloxepane-3,4-diol
OPENEYE Name: 6-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,2-dimethyl-oxepane-3,4-diol
IUPAC Name: 6-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,2-dimethyloxepane-3,4-diol
SYSTEMATIC NAME: 2,2-dimethyl-6-(4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxepane-3,4-diol
MOLECULAR FORMULA: C30H50O4
MOLECULAR WEIGHT: 474.7156
SMILES: CC1(C(CCC2(C1CC=C3C2CCC4(C3(CCC4C5CC(C(C(OC5)(C)C)O)O)C)C)C)O)C
Structure:
CAS RN: 26790-93-2
CAS Name: 5-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(2-hydroxypropan-2-yl)-3-oxanol
OPENEYE Name: 2-(1-hydroxy-1-methyl-ethyl)-5-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)tetrahydropyran-3-ol
IUPAC Name: 5-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(2-hydroxypropan-2-yl)oxan-3-ol
SYSTEMATIC NAME: 2-(2-oxidanylpropan-2-yl)-5-(4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxan-3-ol
MOLECULAR FORMULA: C30H50O4
MOLECULAR WEIGHT: 474.7156
SMILES: CC1(C(CCC2(C1CC=C3C2CCC4(C3(CCC4C5CC(C(OC5)C(C)(C)O)O)C)C)C)O)C
Structure:
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