Monday, September 24, 2012

http://ChemLookup.com Compounds




CAS RN: 28488-34-8
CAS Name: neodymium(3+); propanoate
OPENEYE Name: neodymium(3+); propanoate
IUPAC Name: neodymium(3+); propanoate
SYSTEMATIC NAME: neodymium(3+); propanoate
MOLECULAR FORMULA: C9H15NdO6
MOLECULAR WEIGHT: 363.4518
SMILES: CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Nd+3]
Structure:

CAS RN: 28478-50-4
CAS Name: 5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-4-methylbenzamide
OPENEYE Name: 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-methyl-benzamide
IUPAC Name: 5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-methylbenzamide
SYSTEMATIC NAME: 5-chloranyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-methyl-benzamide
MOLECULAR FORMULA: C16H23ClN2O2
MOLECULAR WEIGHT: 310.81902
SMILES: CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)C)Cl
Structure:

CAS RN: 28478-49-1
CAS Name: 5-chloro-N-[(1-ethyl-1-methyl-2-pyrrolidin-1-iumyl)methyl]-4-hydroxy-2-methoxybenzamide bromide
OPENEYE Name: 5-chloro-N-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-2-methoxy-benzamide bromide
IUPAC Name: 5-chloro-N-[(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-2-methoxybenzamide bromide
SYSTEMATIC NAME: 5-chloranyl-N-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methyl]-2-methoxy-4-oxidanyl-benzamide bromide
MOLECULAR FORMULA: C16H24BrClN2O3
MOLECULAR WEIGHT: 407.73036
SMILES: CC[N+]1(CCCC1CNC(=O)C2=CC(=C(C=C2OC)O)Cl)C.[Br-]
Structure:

CAS RN: 28474-86-4
CAS Name: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,14-dihydroxy-3-[[(2R,3R,4S,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-2-oxanyl]oxy]-10,13-dimeth
OPENEYE Name: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,14-dihydroxy-3-[(2R,3R,4S,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahy
IUPAC Name: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,14-dihydroxy-3-[(2R,3R,4S,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1
SYSTEMATIC NAME: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-5-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-1,14-b
MOLECULAR FORMULA: C42H66O19
MOLECULAR WEIGHT: 874.96204
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2C[C@H]3CC[C@@H]4[C@@H]([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O
Structure:

CAS RN: 28469-15-0
CAS Name: 3-(4-amino-1-pyrazolyl)-6-methyl-2H-1,2,4-triazin-5-one hydrochloride
OPENEYE Name: 3-(4-aminopyrazol-1-yl)-6-methyl-2H-1,2,4-triazin-5-one hydrochloride
IUPAC Name: 3-(4-aminopyrazol-1-yl)-6-methyl-2H-1,2,4-triazin-5-one hydrochloride
SYSTEMATIC NAME: 3-(4-azanylpyrazol-1-yl)-6-methyl-2H-1,2,4-triazin-5-one hydrochloride
MOLECULAR FORMULA: C7H9ClN6O
MOLECULAR WEIGHT: 228.63896
SMILES: CC1=NNC(=NC1=O)N2C=C(C=N2)N.Cl
Structure:

CAS RN: 28469-10-5
CAS Name: 1-(1,3-benzothiazol-2-yl)-4-pyrazolamine
OPENEYE Name: 1-(1,3-benzothiazol-2-yl)pyrazol-4-amine
IUPAC Name: 1-(1,3-benzothiazol-2-yl)pyrazol-4-amine
SYSTEMATIC NAME: 1-(1,3-benzothiazol-2-yl)pyrazol-4-amine
MOLECULAR FORMULA: C10H8N4S
MOLECULAR WEIGHT: 216.26232
SMILES: C1=CC=C2C(=C1)N=C(S2)N3C=C(C=N3)N
Structure:

CAS RN: 28469-09-2
CAS Name: N,N-dimethyl-1-(4-methyl-2-thiazolyl)-4-pyrazolamine dihydrochloride
OPENEYE Name: N,N-dimethyl-1-(4-methylthiazol-2-yl)pyrazol-4-amine dihydrochloride
IUPAC Name: N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-amine dihydrochloride
SYSTEMATIC NAME: N,N-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-4-amine dihydrochloride
MOLECULAR FORMULA: C9H14Cl2N4S
MOLECULAR WEIGHT: 281.20526
SMILES: CC1=CSC(=N1)N2C=C(C=N2)N(C)C.Cl.Cl
Structure:

CAS RN: 28466-72-0
CAS Name: N-ethyl-1-(phenylmethyl)-4-pyrazolamine
OPENEYE Name: 1-benzyl-N-ethyl-pyrazol-4-amine
IUPAC Name: 1-benzyl-N-ethylpyrazol-4-amine
SYSTEMATIC NAME: N-ethyl-1-(phenylmethyl)pyrazol-4-amine
MOLECULAR FORMULA: C12H15N3
MOLECULAR WEIGHT: 201.2676
SMILES: CCNC1=CN(N=C1)CC2=CC=CC=C2
Structure:

CAS RN: 28466-70-8
CAS Name: N-methyl-1-(phenylmethyl)-4-pyrazolamine
OPENEYE Name: 1-benzyl-N-methyl-pyrazol-4-amine
IUPAC Name: 1-benzyl-N-methylpyrazol-4-amine
SYSTEMATIC NAME: N-methyl-1-(phenylmethyl)pyrazol-4-amine
MOLECULAR FORMULA: C11H13N3
MOLECULAR WEIGHT: 187.24102
SMILES: CNC1=CN(N=C1)CC2=CC=CC=C2
Structure:

CAS RN: 28466-69-5
CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolamine
OPENEYE Name: 1-benzyl-3,5-dimethyl-pyrazol-4-amine
IUPAC Name: 1-benzyl-3,5-dimethylpyrazol-4-amine
SYSTEMATIC NAME: 3,5-dimethyl-1-(phenylmethyl)pyrazol-4-amine
MOLECULAR FORMULA: C12H15N3
MOLECULAR WEIGHT: 201.2676
SMILES: CC1=C(C(=NN1CC2=CC=CC=C2)C)N
Structure:

CAS RN: 28466-66-2
CAS Name: 1-(2-phenylethyl)-4-pyrazolamine hydrochloride
OPENEYE Name: 1-(2-phenylethyl)pyrazol-4-amine hydrochloride
IUPAC Name: 1-(2-phenylethyl)pyrazol-4-amine hydrochloride
SYSTEMATIC NAME: 1-(2-phenylethyl)pyrazol-4-amine hydrochloride
MOLECULAR FORMULA: C11H14ClN3
MOLECULAR WEIGHT: 223.70196
SMILES: C1=CC=C(C=C1)CCN2C=C(C=N2)N.Cl
Structure:

CAS RN: 28466-62-8
CAS Name: 1-(phenylmethyl)-4-pyrazolamine
OPENEYE Name: 1-benzylpyrazol-4-amine
IUPAC Name: 1-benzylpyrazol-4-amine
SYSTEMATIC NAME: 1-(phenylmethyl)pyrazol-4-amine
MOLECULAR FORMULA: C10H11N3
MOLECULAR WEIGHT: 173.21444
SMILES: C1=CC=C(C=C1)CN2C=C(C=N2)N
Structure:

CAS RN: 28466-28-6
CAS Name: N-methyl-1H-pyrazol-4-amine
OPENEYE Name: N-methyl-1H-pyrazol-4-amine
IUPAC Name: N-methyl-1H-pyrazol-4-amine
SYSTEMATIC NAME: N-methyl-1H-pyrazol-4-amine
MOLECULAR FORMULA: C4H7N3
MOLECULAR WEIGHT: 97.11848
SMILES: CNC1=CNN=C1
Structure:

CAS RN: 28466-22-0
CAS Name: N,N,1,3,5-pentamethyl-4-pyrazolamine
OPENEYE Name: N,N,1,3,5-pentamethylpyrazol-4-amine
IUPAC Name: N,N,1,3,5-pentamethylpyrazol-4-amine
SYSTEMATIC NAME: N,N,1,3,5-pentamethylpyrazol-4-amine
MOLECULAR FORMULA: C8H15N3
MOLECULAR WEIGHT: 153.2248
SMILES: CC1=C(C(=NN1C)C)N(C)C
Structure:

CAS RN: 28466-17-3
CAS Name: [4-(dimethylamino)-1-pyrazolyl]-phenylmethanone
OPENEYE Name: [4-(dimethylamino)pyrazol-1-yl]-phenyl-methanone
IUPAC Name: [4-(dimethylamino)pyrazol-1-yl]-phenylmethanone
SYSTEMATIC NAME: [4-(dimethylamino)pyrazol-1-yl]-phenyl-methanone
MOLECULAR FORMULA: C12H13N3O
MOLECULAR WEIGHT: 215.25112
SMILES: CN(C)C1=CN(N=C1)C(=O)C2=CC=CC=C2
Structure:

CAS RN: 28466-15-1
CAS Name: N,N-diethyl-1-(phenylmethyl)-4-pyrazolamine
OPENEYE Name: 1-benzyl-N,N-diethyl-pyrazol-4-amine
IUPAC Name: 1-benzyl-N,N-diethylpyrazol-4-amine
SYSTEMATIC NAME: N,N-diethyl-1-(phenylmethyl)pyrazol-4-amine
MOLECULAR FORMULA: C14H19N3
MOLECULAR WEIGHT: 229.32076
SMILES: CCN(CC)C1=CN(N=C1)CC2=CC=CC=C2
Structure:

CAS RN: 28466-14-0
CAS Name: N,N,3,5-tetramethyl-1-(phenylmethyl)-4-pyrazolamine
OPENEYE Name: 1-benzyl-N,N,3,5-tetramethyl-pyrazol-4-amine
IUPAC Name: 1-benzyl-N,N,3,5-tetramethylpyrazol-4-amine
SYSTEMATIC NAME: N,N,3,5-tetramethyl-1-(phenylmethyl)pyrazol-4-amine
MOLECULAR FORMULA: C14H19N3
MOLECULAR WEIGHT: 229.32076
SMILES: CC1=C(C(=NN1CC2=CC=CC=C2)C)N(C)C
Structure:

CAS RN: 28466-12-8
CAS Name: N,N-dimethyl-1-(2-phenylethyl)-4-pyrazolamine
OPENEYE Name: N,N-dimethyl-1-(2-phenylethyl)pyrazol-4-amine
IUPAC Name: N,N-dimethyl-1-(2-phenylethyl)pyrazol-4-amine
SYSTEMATIC NAME: N,N-dimethyl-1-(2-phenylethyl)pyrazol-4-amine
MOLECULAR FORMULA: C13H17N3
MOLECULAR WEIGHT: 215.29418
SMILES: CN(C)C1=CN(N=C1)CCC2=CC=CC=C2
Structure:

CAS RN: 28466-10-6
CAS Name: N,N-dimethyl-1-(phenylmethyl)-4-pyrazolamine
OPENEYE Name: 1-benzyl-N,N-dimethyl-pyrazol-4-amine
IUPAC Name: 1-benzyl-N,N-dimethylpyrazol-4-amine
SYSTEMATIC NAME: N,N-dimethyl-1-(phenylmethyl)pyrazol-4-amine
MOLECULAR FORMULA: C12H15N3
MOLECULAR WEIGHT: 201.2676
SMILES: CN(C)C1=CN(N=C1)CC2=CC=CC=C2
Structure:

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