Sunday, July 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-(1-piperidylmethyl)-3-[[1-(1-piperidylmethyl)indol-3-yl]methyl]indole
CAS Name: 1-(1-piperidinylmethyl)-3-[[1-(1-piperidinylmethyl)-3-indolyl]methyl]indole
IUPAC NAME: 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole
SYSTEMATIC NAME: 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole
MOLECULAR FORMULA: C29H36N4
MOLECULAR WEIGHT: 440.62294
SMILES: C1CCN(CC1)CN2C=C(C3=CC=CC=C32)CC4=CN(C5=CC=CC=C54)CN6CCCCC6
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Product OPENEYE NAME: N,N-dimethyl-N'-(2-pyridyl)-N'-(2-thienylmethyl)ethane-1,2-diamine hydrochloride
CAS Name: N,N-dimethyl-N'-(2-pyridinyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine hydrochloride
IUPAC NAME: N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C14H20ClN3S
MOLECULAR WEIGHT: 297.8467
SMILES: CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.Cl
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Product OPENEYE NAME: 1-[4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine; phosphoric acid
CAS Name: 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine; phosphoric acid
IUPAC NAME: 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine; phosphoric acid
SYSTEMATIC NAME: 1-[4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine; phosphoric acid
MOLECULAR FORMULA: C20H28ClNO8P2
MOLECULAR WEIGHT: 507.838742
SMILES: C1CCN(C1)CC=C(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3.OP(=O)(O)O.OP(=O)(O)O
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Product OPENEYE NAME: 1-[4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine
CAS Name: 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine
IUPAC NAME: 1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidine
SYSTEMATIC NAME: 1-[4-(4-chlorophenyl)-3-phenyl-but-2-enyl]pyrrolidine
MOLECULAR FORMULA: C20H22ClN
MOLECULAR WEIGHT: 311.84838
SMILES: C1CCN(C1)CC=C(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: disodium 2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate
CAS Name: disodium 2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate
IUPAC NAME: disodium 2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate
SYSTEMATIC NAME: disodium 2-[2-hydroxyethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C6H9NNa2O5
MOLECULAR WEIGHT: 221.1189
SMILES: C(CO)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: pentacene
CAS Name: pentacene
IUPAC NAME: pentacene
SYSTEMATIC NAME: pentacene
MOLECULAR FORMULA: C22H14
MOLECULAR WEIGHT: 278.34656
SMILES: C1=CC=C2C=C3C=C4C=C5C=CC=CC5=CC4=CC3=CC2=C1
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Product OPENEYE NAME: 2,7-dimethylacridine-3,6-diamine hydrochloride
CAS Name: 2,7-dimethylacridine-3,6-diamine hydrochloride
IUPAC NAME: 2,7-dimethylacridine-3,6-diamine hydrochloride
SYSTEMATIC NAME: 2,7-dimethylacridine-3,6-diamine hydrochloride
MOLECULAR FORMULA: C15H16ClN3
MOLECULAR WEIGHT: 273.76064
SMILES: CC1=CC2=CC3=CC(=C(C=C3N=C2C=C1N)N)C.Cl
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Product OPENEYE NAME: disodium 3-hydroxynaphthalene-2,7-disulfonate
CAS Name: disodium 3-hydroxynaphthalene-2,7-disulfonate
IUPAC NAME: disodium 3-hydroxynaphthalene-2,7-disulfonate
SYSTEMATIC NAME: disodium 3-oxidanylnaphthalene-2,7-disulfonate
MOLECULAR FORMULA: C10H6Na2O7S2
MOLECULAR WEIGHT: 348.25998
SMILES: C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 3-hydroxynaphthalene-2,7-disulfonic acid
CAS Name: 3-hydroxynaphthalene-2,7-disulfonic acid
IUPAC NAME: 3-hydroxynaphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 3-oxidanylnaphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C10H8O7S2
MOLECULAR WEIGHT: 304.29632
SMILES: C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)O)S(=O)(=O)O
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Product OPENEYE NAME: 4-(4-chlorophenyl)aniline
CAS Name: 4-(4-chlorophenyl)aniline
IUPAC NAME: 4-(4-chlorophenyl)aniline
SYSTEMATIC NAME: 4-(4-chlorophenyl)aniline
MOLECULAR FORMULA: C12H10ClN
MOLECULAR WEIGHT: 203.6675
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Cl)N
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Product OPENEYE NAME: 1-[4-(4-nitrophenyl)phenyl]ethanone
CAS Name: 1-[4-(4-nitrophenyl)phenyl]ethanone
IUPAC NAME: 1-[4-(4-nitrophenyl)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-(4-nitrophenyl)phenyl]ethanone
MOLECULAR FORMULA: C14H11NO3
MOLECULAR WEIGHT: 241.24204
SMILES: CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 1-phenyl-4-(4-phenylphenyl)benzene
CAS Name: 1-phenyl-4-(4-phenylphenyl)benzene
IUPAC NAME: 1-phenyl-4-(4-phenylphenyl)benzene
SYSTEMATIC NAME: 1-phenyl-4-(4-phenylphenyl)benzene
MOLECULAR FORMULA: C24H18
MOLECULAR WEIGHT: 306.39972
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (3,4-dimethoxyphenyl)methylhydrazine
CAS Name: (3,4-dimethoxyphenyl)methylhydrazine
IUPAC NAME: (3,4-dimethoxyphenyl)methylhydrazine
SYSTEMATIC NAME: (3,4-dimethoxyphenyl)methyldiazane
MOLECULAR FORMULA: C9H14N2O2
MOLECULAR WEIGHT: 182.21966
SMILES: COC1=C(C=C(C=C1)CNN)OC
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Product OPENEYE NAME: N-phenylnaphthalen-2-amine
CAS Name: N-phenyl-2-naphthalenamine
IUPAC NAME: N-phenylnaphthalen-2-amine
SYSTEMATIC NAME: N-phenylnaphthalen-2-amine
MOLECULAR FORMULA: C16H13N
MOLECULAR WEIGHT: 219.28112
SMILES: C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: sec-butylbenzene
CAS Name: butan-2-ylbenzene
IUPAC NAME: butan-2-ylbenzene
SYSTEMATIC NAME: butan-2-ylbenzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CCC(C)C1=CC=CC=C1
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Product OPENEYE NAME: 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one chloride
CAS Name: 5-[[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]methyl]-2-methyl-1H-pyrimidin-6-one chloride
IUPAC NAME: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one chloride
SYSTEMATIC NAME: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one chloride
MOLECULAR FORMULA: C12H16ClN3O2S
MOLECULAR WEIGHT: 301.79234
SMILES: CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.[Cl-]
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Product OPENEYE NAME: 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one
CAS Name: 5-[[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]methyl]-2-methyl-1H-pyrimidin-6-one
IUPAC NAME: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C12H16N3O2S+
MOLECULAR WEIGHT: 266.33934
SMILES: CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO
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Product OPENEYE NAME: N1-phenylbenzene-1,2,4-triamine
CAS Name: N1-phenylbenzene-1,2,4-triamine
IUPAC NAME: 1-N-phenylbenzene-1,2,4-triamine
SYSTEMATIC NAME: N1-phenylbenzene-1,2,4-triamine
MOLECULAR FORMULA: C12H13N3
MOLECULAR WEIGHT: 199.25172
SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)N
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