Wednesday, January 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
CAS Name: 1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester hydrochloride
IUPAC NAME: methyl 1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
MOLECULAR FORMULA: C19H18ClFN2O2
MOLECULAR WEIGHT: 360.809823
SMILES: COC(=O)C1CC2=C(C(N1)C3=CC(=CC=C3)F)NC4=CC=CC=C24.Cl
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Product OPENEYE NAME: methyl 1-(2-chloro-6-fluoro-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
CAS Name: 1-(2-chloro-6-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester hydrochloride
IUPAC NAME: methyl 1-(2-chloro-6-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 1-(2-chloranyl-6-fluoranyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
MOLECULAR FORMULA: C19H17Cl2FN2O2
MOLECULAR WEIGHT: 395.254883
SMILES: COC(=O)C1CC2=C(C(N1)C3=C(C=CC=C3Cl)F)NC4=CC=CC=C24.Cl
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Product OPENEYE NAME: methyl 1-(3-fluoro-5-methyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
CAS Name: 1-(3-fluoro-5-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester hydrochloride
IUPAC NAME: methyl 1-(3-fluoro-5-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 1-(3-fluoranyl-5-methyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
MOLECULAR FORMULA: C20H20ClFN2O2
MOLECULAR WEIGHT: 374.836403
SMILES: CC1=CC(=CC(=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)F.Cl
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Product OPENEYE NAME: methyl 1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
CAS Name: 1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester hydrochloride
IUPAC NAME: methyl 1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 1-(3-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
MOLECULAR FORMULA: C20H21ClN2O3
MOLECULAR WEIGHT: 372.84534
SMILES: COC1=CC=CC(=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3.Cl
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Product OPENEYE NAME: methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester hydrochloride
IUPAC NAME: methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
MOLECULAR FORMULA: C21H21ClN2O4
MOLECULAR WEIGHT: 400.85544
SMILES: COC(=O)C1CC2=C(C(N1)C3=CC4=C(C=C3)OCCO4)NC5=CC=CC=C25.Cl
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Product OPENEYE NAME: (3,5-dimethylisoxazol-4-yl)methanamine hydrochloride
CAS Name: (3,5-dimethyl-4-isoxazolyl)methanamine hydrochloride
IUPAC NAME: (3,5-dimethyl-1,2-oxazol-4-yl)methanamine hydrochloride
SYSTEMATIC NAME: (3,5-dimethyl-1,2-oxazol-4-yl)methanamine hydrochloride
MOLECULAR FORMULA: C6H11ClN2O
MOLECULAR WEIGHT: 162.61734
SMILES: CC1=C(C(=NO1)C)CN.Cl
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Product OPENEYE NAME: 1-[(4-ethylphenyl)methyl]piperazine dihydrochloride
CAS Name: 1-[(4-ethylphenyl)methyl]piperazine dihydrochloride
IUPAC NAME: 1-[(4-ethylphenyl)methyl]piperazine dihydrochloride
SYSTEMATIC NAME: 1-[(4-ethylphenyl)methyl]piperazine dihydrochloride
MOLECULAR FORMULA: C13H22Cl2N2
MOLECULAR WEIGHT: 277.23318
SMILES: CCC1=CC=C(C=C1)CN2CCNCC2.Cl.Cl
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Product OPENEYE NAME: 2-(piperazin-1-ylmethyl)phenol dihydrochloride
CAS Name: 2-(1-piperazinylmethyl)phenol dihydrochloride
IUPAC NAME: 2-(piperazin-1-ylmethyl)phenol dihydrochloride
SYSTEMATIC NAME: 2-(piperazin-1-ylmethyl)phenol dihydrochloride
MOLECULAR FORMULA: C11H18Cl2N2O
MOLECULAR WEIGHT: 265.17942
SMILES: C1CN(CCN1)CC2=CC=CC=C2O.Cl.Cl
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Product OPENEYE NAME: (2S,3S)-1-(2-methoxyethyl)-2-(o-tolyl)-6-oxo-piperidine-3-carboxylic acid
CAS Name: (2S,3S)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxo-3-piperidinecarboxylic acid
IUPAC NAME: (2S,3S)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxopiperidine-3-carboxylic acid
SYSTEMATIC NAME: (2S,3S)-1-(2-methoxyethyl)-2-(2-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylic acid
MOLECULAR FORMULA: C16H21NO4
MOLECULAR WEIGHT: 291.34224
SMILES: CC1=CC=CC=C1[C@@H]2[C@H](CCC(=O)N2CCOC)C(=O)O
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Product OPENEYE NAME: (2S,3S)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxylic acid
CAS Name: (2S,3S)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid
IUPAC NAME: (2S,3S)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
SYSTEMATIC NAME: (2S,3S)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylic acid
MOLECULAR FORMULA: C16H21NO5
MOLECULAR WEIGHT: 307.34164
SMILES: COCCN1[C@@H]([C@H](CCC1=O)C(=O)O)C2=CC=CC=C2OC
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Product OPENEYE NAME: (2S,3S)-2-(2-chlorophenyl)-1-ethyl-6-oxo-piperidine-3-carboxylic acid
CAS Name: (2S,3S)-2-(2-chlorophenyl)-1-ethyl-6-oxo-3-piperidinecarboxylic acid
IUPAC NAME: (2S,3S)-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
SYSTEMATIC NAME: (2S,3S)-2-(2-chlorophenyl)-1-ethyl-6-oxidanylidene-piperidine-3-carboxylic acid
MOLECULAR FORMULA: C14H16ClNO3
MOLECULAR WEIGHT: 281.73474
SMILES: CCN1[C@@H]([C@H](CCC1=O)C(=O)O)C2=CC=CC=C2Cl
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Product OPENEYE NAME: (2S,3S)-2-(3-chlorophenyl)-1-ethyl-6-oxo-piperidine-3-carboxylic acid
CAS Name: (2S,3S)-2-(3-chlorophenyl)-1-ethyl-6-oxo-3-piperidinecarboxylic acid
IUPAC NAME: (2S,3S)-2-(3-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
SYSTEMATIC NAME: (2S,3S)-2-(3-chlorophenyl)-1-ethyl-6-oxidanylidene-piperidine-3-carboxylic acid
MOLECULAR FORMULA: C14H16ClNO3
MOLECULAR WEIGHT: 281.73474
SMILES: CCN1[C@@H]([C@H](CCC1=O)C(=O)O)C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 2-(4-phenylpiperazin-1-yl)ethanamine trihydrochloride
CAS Name: 2-(4-phenyl-1-piperazinyl)ethanamine trihydrochloride
IUPAC NAME: 2-(4-phenylpiperazin-1-yl)ethanamine trihydrochloride
SYSTEMATIC NAME: 2-(4-phenylpiperazin-1-yl)ethanamine trihydrochloride
MOLECULAR FORMULA: C12H22Cl3N3
MOLECULAR WEIGHT: 314.68218
SMILES: C1CN(CCN1CCN)C2=CC=CC=C2.Cl.Cl.Cl
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Product OPENEYE NAME: 2-(2-ethylimidazol-1-yl)ethanamine dihydrochloride
CAS Name: 2-(2-ethyl-1-imidazolyl)ethanamine dihydrochloride
IUPAC NAME: 2-(2-ethylimidazol-1-yl)ethanamine dihydrochloride
SYSTEMATIC NAME: 2-(2-ethylimidazol-1-yl)ethanamine dihydrochloride
MOLECULAR FORMULA: C7H15Cl2N3
MOLECULAR WEIGHT: 212.1201
SMILES: CCC1=NC=CN1CCN.Cl.Cl
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Product OPENEYE NAME: 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethanamine hydrochloride
CAS Name: 2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethanamine hydrochloride
IUPAC NAME: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanamine hydrochloride
MOLECULAR FORMULA: C7H13BrClN3
MOLECULAR WEIGHT: 254.55522
SMILES: CC1=C(C(=NN1CCN)C)Br.Cl
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Product OPENEYE NAME: 3-pyrazol-1-ylpropan-1-amine dihydrochloride
CAS Name: 3-(1-pyrazolyl)-1-propanamine dihydrochloride
IUPAC NAME: 3-pyrazol-1-ylpropan-1-amine dihydrochloride
SYSTEMATIC NAME: 3-pyrazol-1-ylpropan-1-amine dihydrochloride
MOLECULAR FORMULA: C6H13Cl2N3
MOLECULAR WEIGHT: 198.09352
SMILES: C1=CN(N=C1)CCCN.Cl.Cl
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