Tuesday, January 24, 2012

http://ChemLookup.com Compounds




CAS RN: 203808-33-7
CAS Name: 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
OPENEYE Name: 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
IUPAC Name: 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-cyclohexyl-5,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H18N2O2S
MOLECULAR WEIGHT: 278.36992
SMILES: CC1=C(SC2=C1C(=O)N(C(=O)N2)C3CCCCC3)C
Structure:

CAS RN: 201747-37-7
CAS Name: 2-(4,9-dimethoxy-5-oxo-7-furo[3,2-g][1]benzopyranyl)-3-phenyl-4-thiazolidinone
OPENEYE Name: 2-(4,9-dimethoxy-5-oxo-furo[3,2-g]chromen-7-yl)-3-phenyl-thiazolidin-4-one
IUPAC Name: 2-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)-3-phenyl-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 2-(4,9-dimethoxy-5-oxidanylidene-furo[3,2-g]chromen-7-yl)-3-phenyl-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C22H17NO6S
MOLECULAR WEIGHT: 423.43848
SMILES: COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)C4N(C(=O)CS4)C5=CC=CC=C5
Structure:

CAS RN: 200954-61-6
CAS Name: (2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide; 2,2,2-trifluoroacetic acid
OPENEYE Name: (2S)-N-[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid
IUPAC Name: (2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: (2S)-N-[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C16H20F3N3O5
MOLECULAR WEIGHT: 391.34231
SMILES: C1C[C@H](NC1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N.C(=O)(C(F)(F)F)O
Structure:

CAS RN: 200954-57-0
CAS Name: (2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-(1-oxohexyl)-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-1-hexanoyl-pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-1-hexanoyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C20H29N3O4
MOLECULAR WEIGHT: 375.46196
SMILES: CCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N
Structure:

CAS RN: 200954-49-0
CAS Name: (2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-(1-oxo-2-phenylethyl)-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-1-(2-phenylethanoyl)pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C22H25N3O4
MOLECULAR WEIGHT: 395.4516
SMILES: C1C[C@H](N(C1)C(=O)CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N
Structure:

CAS RN: 200496-86-2
CAS Name: 3-chloro-2-hydroxy-N-[(1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
OPENEYE Name: 3-chloro-2-hydroxy-N-[(1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
IUPAC Name: 3-chloro-2-hydroxy-N-[(1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
SYSTEMATIC NAME: 3-chloranyl-N-[(1R,2S,6R)-6-(hydroxymethyl)-2-oxidanyl-5-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2-oxidanyl-benzamide
MOLECULAR FORMULA: C14H12ClNO6
MOLECULAR WEIGHT: 325.70118
SMILES: C1=CC(=C(C(=C1)Cl)O)C(=O)NC2=CC(=O)[C@]3([C@@H]([C@H]2O)O3)CO
Structure:

CAS RN: 200496-85-1
CAS Name: 2-hydroxy-N-[(1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
OPENEYE Name: 2-hydroxy-N-[(1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
IUPAC Name: 2-hydroxy-N-[(1R,2S,6R)-2-hydroxy-6-(hydroxymethyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
SYSTEMATIC NAME: N-[(1R,2S,6R)-6-(hydroxymethyl)-2-oxidanyl-5-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2-oxidanyl-benzamide
MOLECULAR FORMULA: C14H13NO6
MOLECULAR WEIGHT: 291.25612
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC(=O)[C@]3([C@@H]([C@H]2O)O3)CO)O
Structure:

CAS RN: 200064-97-7
CAS Name: 4-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)benzoic acid ethyl ester iodide
OPENEYE Name: ethyl 4-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)benzoate iodide
IUPAC Name: ethyl 4-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)benzoate iodide
SYSTEMATIC NAME: ethyl 4-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)benzoate iodide
MOLECULAR FORMULA: C20H26INO2Si
MOLECULAR WEIGHT: 467.41591
SMILES: CCOC(=O)C1=CC=C(C=C1)[N+]2(CC3=CC=CC=C3[Si](C2)(C)C)C.[I-]
Structure:

CAS RN: 200064-95-5
CAS Name: 2-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)acetic acid ethyl ester iodide
OPENEYE Name: ethyl 2-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)acetate iodide
IUPAC Name: ethyl 2-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)acetate iodide
SYSTEMATIC NAME: ethyl 2-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)ethanoate iodide
MOLECULAR FORMULA: C15H24INO2Si
MOLECULAR WEIGHT: 405.34653
SMILES: CCOC(=O)C[N+]1(CC2=CC=CC=C2[Si](C1)(C)C)C.[I-]
Structure:

CAS RN: 200064-94-4
CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid hydrochloride
OPENEYE Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid hydrochloride
IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid hydrochloride
SYSTEMATIC NAME: 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoic acid hydrochloride
MOLECULAR FORMULA: C11H14ClNO2
MOLECULAR WEIGHT: 227.68736
SMILES: C1CN(CC2=CC=CC=C21)CC(=O)O.Cl
Structure:

CAS RN: 200064-93-3
CAS Name: 2-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)acetic acid ethyl ester iodide
OPENEYE Name: ethyl 2-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)acetate iodide
IUPAC Name: ethyl 2-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)acetate iodide
SYSTEMATIC NAME: ethyl 2-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethanoate iodide
MOLECULAR FORMULA: C14H20INO2
MOLECULAR WEIGHT: 361.21857
SMILES: CCOC(=O)C[N+]1(CCC2=CC=CC=C2C1)C.[I-]
Structure:

CAS RN: 200064-90-0
CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
OPENEYE Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SYSTEMATIC NAME: 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: C1CN(CC2=CC=CC=C21)CC(=O)N
Structure:

CAS RN: 200064-89-7
CAS Name: 2-(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)acetic acid ethyl ester iodide
OPENEYE Name: ethyl 2-(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)acetate iodide
IUPAC Name: ethyl 2-(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)acetate iodide
SYSTEMATIC NAME: ethyl 2-(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)ethanoate iodide
MOLECULAR FORMULA: C14H20INO2
MOLECULAR WEIGHT: 361.21857
SMILES: CCOC(=O)C[N+]1(CCCC2=CC=CC=C21)C.[I-]
Structure:

CAS RN: 199339-18-9
CAS Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-methyl-4-thiazolone
OPENEYE Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-methyl-thiazol-4-one
IUPAC Name: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-one
SYSTEMATIC NAME: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-one
MOLECULAR FORMULA: C12H9BrN4O2S
MOLECULAR WEIGHT: 353.19446
SMILES: CC1C(=O)N=C(S1)NC2=NN=C(O2)C3=CC=C(C=C3)Br
Structure:

CAS RN: 199339-17-8
CAS Name: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-methyl-4-thiazolone
OPENEYE Name: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-methyl-thiazol-4-one
IUPAC Name: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-one
SYSTEMATIC NAME: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-one
MOLECULAR FORMULA: C12H9ClN4O2S
MOLECULAR WEIGHT: 308.74346
SMILES: CC1C(=O)N=C(S1)NC2=NN=C(O2)C3=CC=C(C=C3)Cl
Structure:

CAS RN: 199339-13-4
CAS Name: 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-4-thiazolone
OPENEYE Name: 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-thiazol-4-one
IUPAC Name: 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-thiazol-4-one
SYSTEMATIC NAME: 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-thiazol-4-one
MOLECULAR FORMULA: C17H11FN4O2S
MOLECULAR WEIGHT: 354.358243
SMILES: C1=CC=C(C=C1)C2C(=O)N=C(S2)NC3=NN=C(O3)C4=CC=C(C=C4)F
Structure:

CAS RN: 199339-10-1
CAS Name: 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-4-thiazolone
OPENEYE Name: 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-thiazol-4-one
IUPAC Name: 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-thiazol-4-one
SYSTEMATIC NAME: 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-thiazol-4-one
MOLECULAR FORMULA: C18H14N4O3S
MOLECULAR WEIGHT: 366.39376
SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=O)C(S3)C4=CC=CC=C4
Structure:

CAS RN: 199173-81-4
CAS Name: (2R,3R,4R)-4-[[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyl-2-oxanyl]oxy]-2,5,7-trihydroxy-3,10-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
OPENEYE Name: (2R,3R,4R)-4-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,5,7-trihydroxy-3,10-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
IUPAC Name: (2R,3R,4R)-4-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-2,5,7-trihydroxy-3,10-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
SYSTEMATIC NAME: (2R,3R,4R)-4-[(2S,4S,5S,6S)-4-(dimethylamino)-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,10-dimethoxy-2-methyl-2,5,7-tris(oxidanyl)-3,4-dihydrotetracene-1,6,11-trione
MOLECULAR FORMULA: C30H35NO11
MOLECULAR WEIGHT: 585.599
SMILES: C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]([C@@](C(=O)C3=C2C(=C4C(=C3)C(=O)C5=C(C=CC(=C5C4=O)O)OC)O)(C)O)OC)(C)N(C)C)O
Structure:

CAS RN: 198767-59-8
CAS Name: 1-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]-2-pyrrolidinone hydrochloride
OPENEYE Name: 1-[3-[(4-chlorophenyl)methylamino]-2-hydroxy-propyl]pyrrolidin-2-one hydrochloride
IUPAC Name: 1-[3-[(4-chlorophenyl)methylamino]-2-hydroxypropyl]pyrrolidin-2-one hydrochloride
SYSTEMATIC NAME: 1-[3-[(4-chlorophenyl)methylamino]-2-oxidanyl-propyl]pyrrolidin-2-one hydrochloride
MOLECULAR FORMULA: C14H20Cl2N2O2
MOLECULAR WEIGHT: 319.2268
SMILES: C1CC(=O)N(C1)CC(CNCC2=CC=C(C=C2)Cl)O.Cl
Structure:

CAS RN: 198767-57-6
CAS Name: 1-[3-[(diphenylmethyl)amino]-2-hydroxypropyl]-2-pyrrolidinone hydrochloride
OPENEYE Name: 1-[3-(benzhydrylamino)-2-hydroxy-propyl]pyrrolidin-2-one hydrochloride
IUPAC Name: 1-[3-(benzhydrylamino)-2-hydroxypropyl]pyrrolidin-2-one hydrochloride
SYSTEMATIC NAME: 1-[3-[(diphenylmethyl)amino]-2-oxidanyl-propyl]pyrrolidin-2-one hydrochloride
MOLECULAR FORMULA: C20H25ClN2O2
MOLECULAR WEIGHT: 360.8777
SMILES: C1CC(=O)N(C1)CC(CNC(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl
Structure:

CAS RN: 198767-56-5
CAS Name: 1-(4-phenyl-1-piperazinyl)-3-(1-pyrrolidinyl)-2-propanol dihydrochloride
OPENEYE Name: 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-yl-propan-2-ol dihydrochloride
IUPAC Name: 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol dihydrochloride
SYSTEMATIC NAME: 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-yl-propan-2-ol dihydrochloride
MOLECULAR FORMULA: C17H29Cl2N3O
MOLECULAR WEIGHT: 362.33766
SMILES: C1CCN(C1)CC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl.Cl
Structure:

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