Thursday, January 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]-2-methyl-propanamide hydrochloride
CAS Name: N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]-2-methylpropanamide hydrochloride
IUPAC NAME: N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]-2-methylpropanamide hydrochloride
SYSTEMATIC NAME: N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]-2-methyl-propanamide hydrochloride
MOLECULAR FORMULA: C15H25ClN2O3
MOLECULAR WEIGHT: 316.8236
SMILES: CC(C)C(=O)NCCNCC1=C(C(=CC=C1)OC)OC.Cl
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Product OPENEYE NAME: N-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]-2-methyl-propanamide hydrochloride
CAS Name: N-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]-2-methylpropanamide hydrochloride
IUPAC NAME: N-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]-2-methylpropanamide hydrochloride
SYSTEMATIC NAME: N-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]-2-methyl-propanamide hydrochloride
MOLECULAR FORMULA: C15H25ClN2O3
MOLECULAR WEIGHT: 316.8236
SMILES: CC(C)C(=O)NCCNCC1=C(C=CC(=C1)OC)OC.Cl
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Product OPENEYE NAME: N-(1-naphthylmethyl)-1-(4-pyridyl)ethanamine hydrochloride
CAS Name: N-(1-naphthalenylmethyl)-1-pyridin-4-ylethanamine hydrochloride
IUPAC NAME: N-(naphthalen-1-ylmethyl)-1-pyridin-4-ylethanamine hydrochloride
SYSTEMATIC NAME: N-(naphthalen-1-ylmethyl)-1-pyridin-4-yl-ethanamine hydrochloride
MOLECULAR FORMULA: C18H19ClN2
MOLECULAR WEIGHT: 298.80986
SMILES: CC(C1=CC=NC=C1)NCC2=CC=CC3=CC=CC=C32.Cl
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Product OPENEYE NAME: N-[(4-morpholinophenyl)methyl]-1-(4-pyridyl)ethanamine hydrochloride
CAS Name: N-[[4-(4-morpholinyl)phenyl]methyl]-1-pyridin-4-ylethanamine hydrochloride
IUPAC NAME: N-[(4-morpholin-4-ylphenyl)methyl]-1-pyridin-4-ylethanamine hydrochloride
SYSTEMATIC NAME: N-[(4-morpholin-4-ylphenyl)methyl]-1-pyridin-4-yl-ethanamine hydrochloride
MOLECULAR FORMULA: C18H24ClN3O
MOLECULAR WEIGHT: 333.85566
SMILES: CC(C1=CC=NC=C1)NCC2=CC=C(C=C2)N3CCOCC3.Cl
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Product OPENEYE NAME: N-[(4-morpholinophenyl)methyl]-1-(4-pyridyl)ethanamine
CAS Name: N-[[4-(4-morpholinyl)phenyl]methyl]-1-pyridin-4-ylethanamine
IUPAC NAME: N-[(4-morpholin-4-ylphenyl)methyl]-1-pyridin-4-ylethanamine
SYSTEMATIC NAME: N-[(4-morpholin-4-ylphenyl)methyl]-1-pyridin-4-yl-ethanamine
MOLECULAR FORMULA: C18H23N3O
MOLECULAR WEIGHT: 297.39472
SMILES: CC(C1=CC=NC=C1)NCC2=CC=C(C=C2)N3CCOCC3
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Product OPENEYE NAME: N-(2-naphthylmethyl)-1-(4-pyridyl)ethanamine hydrochloride
CAS Name: N-(2-naphthalenylmethyl)-1-pyridin-4-ylethanamine hydrochloride
IUPAC NAME: N-(naphthalen-2-ylmethyl)-1-pyridin-4-ylethanamine hydrochloride
SYSTEMATIC NAME: N-(naphthalen-2-ylmethyl)-1-pyridin-4-yl-ethanamine hydrochloride
MOLECULAR FORMULA: C18H19ClN2
MOLECULAR WEIGHT: 298.80986
SMILES: CC(C1=CC=NC=C1)NCC2=CC3=CC=CC=C3C=C2.Cl
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Product OPENEYE NAME: N-[(4-imidazol-1-ylphenyl)methyl]-1-(1-naphthyl)ethanamine
CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-1-(1-naphthalenyl)ethanamine
IUPAC NAME: N-[(4-imidazol-1-ylphenyl)methyl]-1-naphthalen-1-ylethanamine
SYSTEMATIC NAME: N-[(4-imidazol-1-ylphenyl)methyl]-1-naphthalen-1-yl-ethanamine
MOLECULAR FORMULA: C22H21N3
MOLECULAR WEIGHT: 327.42224
SMILES: CC(C1=CC=CC2=CC=CC=C21)NCC3=CC=C(C=C3)N4C=CN=C4
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Product OPENEYE NAME: 1-(4-ethoxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine hydrochloride
CAS Name: 1-(4-ethoxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine hydrochloride
IUPAC NAME: 1-(4-ethoxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine hydrochloride
SYSTEMATIC NAME: 1-(4-ethoxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine hydrochloride
MOLECULAR FORMULA: C16H19ClN4O
MOLECULAR WEIGHT: 318.80126
SMILES: CCOC1=CC=C(C=C1)CNCC2=NN=C3N2C=CC=C3.Cl
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Product OPENEYE NAME: 1-(2,6-difluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine hydrochloride
CAS Name: 1-(2,6-difluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine hydrochloride
IUPAC NAME: 1-(2,6-difluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine hydrochloride
SYSTEMATIC NAME: 1-[2,6-bis(fluoranyl)phenyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine hydrochloride
MOLECULAR FORMULA: C14H13ClF2N4
MOLECULAR WEIGHT: 310.729626
SMILES: C1=CC2=NN=C(N2C=C1)CNCC3=C(C=CC=C3F)F.Cl
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Product OPENEYE NAME: N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine hydrochloride
CAS Name: N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine hydrochloride
IUPAC NAME: N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine hydrochloride
SYSTEMATIC NAME: N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-(2,4,5-trimethylphenyl)methanamine hydrochloride
MOLECULAR FORMULA: C17H21ClN4
MOLECULAR WEIGHT: 316.82844
SMILES: CC1=CC(=C(C=C1C)CNCC2=NN=C3N2C=CC=C3)C.Cl
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Product OPENEYE NAME: N-[(6-methoxy-2-naphthyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CAS Name: N-[(6-methoxy-2-naphthalenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
IUPAC NAME: N-[(6-methoxynaphthalen-2-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
SYSTEMATIC NAME: N-[(6-methoxynaphthalen-2-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
MOLECULAR FORMULA: C22H22N4O
MOLECULAR WEIGHT: 358.43628
SMILES: CC(C1=CC=C(C=C1)N2C=NC=N2)NCC3=CC4=C(C=C3)C=C(C=C4)OC
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Product OPENEYE NAME: N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methyl-2-furyl)ethanamine hydrochloride
CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-1-(5-methyl-2-furanyl)ethanamine hydrochloride
IUPAC NAME: N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine hydrochloride
SYSTEMATIC NAME: N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine hydrochloride
MOLECULAR FORMULA: C17H20ClN3O
MOLECULAR WEIGHT: 317.8132
SMILES: CC1=CC=C(O1)C(C)NCC2=CC=C(C=C2)N3C=CN=C3.Cl
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Product OPENEYE NAME: 1-phenyl-3-[(2,4,5-trimethoxyphenyl)methyl]urea
CAS Name: 1-phenyl-3-[(2,4,5-trimethoxyphenyl)methyl]urea
IUPAC NAME: 1-phenyl-3-[(2,4,5-trimethoxyphenyl)methyl]urea
SYSTEMATIC NAME: 1-phenyl-3-[(2,4,5-trimethoxyphenyl)methyl]urea
MOLECULAR FORMULA: C17H20N2O4
MOLECULAR WEIGHT: 316.3517
SMILES: COC1=CC(=C(C=C1CNC(=O)NC2=CC=CC=C2)OC)OC
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Product OPENEYE NAME: 1-butyl-3-[(2,4,5-trimethoxyphenyl)methyl]urea
CAS Name: 1-butyl-3-[(2,4,5-trimethoxyphenyl)methyl]urea
IUPAC NAME: 1-butyl-3-[(2,4,5-trimethoxyphenyl)methyl]urea
SYSTEMATIC NAME: 1-butyl-3-[(2,4,5-trimethoxyphenyl)methyl]urea
MOLECULAR FORMULA: C15H24N2O4
MOLECULAR WEIGHT: 296.36206
SMILES: CCCCNC(=O)NCC1=CC(=C(C=C1OC)OC)OC
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Product OPENEYE NAME: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(5-methylisoxazol-3-yl)propanamide
CAS Name: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(5-methyl-3-isoxazolyl)propanamide
IUPAC NAME: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SYSTEMATIC NAME: 3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
MOLECULAR FORMULA: C17H21N3O4
MOLECULAR WEIGHT: 331.36634
SMILES: CCN(CCC(=O)NC1=NOC(=C1)C)CC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-(2-furylmethoxy)propan-2-ol
CAS Name: 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-(2-furanylmethoxy)-2-propanol
IUPAC NAME: 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SYSTEMATIC NAME: 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
MOLECULAR FORMULA: C17H21NO5
MOLECULAR WEIGHT: 319.35234
SMILES: CN(CC1=CC2=C(C=C1)OCO2)CC(COCC3=CC=CO3)O
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Product OPENEYE NAME: 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-(tetrahydrofuran-2-ylmethoxy)propan-2-ol
CAS Name: 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-(2-oxolanylmethoxy)-2-propanol
IUPAC NAME: 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SYSTEMATIC NAME: 1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
MOLECULAR FORMULA: C17H25NO5
MOLECULAR WEIGHT: 323.3841
SMILES: CN(CC1=CC2=C(C=C1)OCO2)CC(COCC3CCCO3)O
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Product OPENEYE NAME: 2-(3-methoxyphenoxy)-3-nitro-pyridine
CAS Name: 2-(3-methoxyphenoxy)-3-nitropyridine
IUPAC NAME: 2-(3-methoxyphenoxy)-3-nitropyridine
SYSTEMATIC NAME: 2-(3-methoxyphenoxy)-3-nitro-pyridine
MOLECULAR FORMULA: C12H10N2O4
MOLECULAR WEIGHT: 246.2188
SMILES: COC1=CC=CC(=C1)OC2=C(C=CC=N2)[N+](=O)[O-]
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Product OPENEYE NAME: 2,4-dimethyl-6-(4-propoxyphenoxy)-1,2,4-triazine-3,5-dione
CAS Name: 2,4-dimethyl-6-(4-propoxyphenoxy)-1,2,4-triazine-3,5-dione
IUPAC NAME: 2,4-dimethyl-6-(4-propoxyphenoxy)-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 2,4-dimethyl-6-(4-propoxyphenoxy)-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C14H17N3O4
MOLECULAR WEIGHT: 291.30248
SMILES: CCCOC1=CC=C(C=C1)OC2=NN(C(=O)N(C2=O)C)C
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Product OPENEYE NAME: 3-amino-5-[3-(1,3-benzothiazol-2-ylamino)propyl]-1H-pyrazole-4-carbonitrile
CAS Name: 3-amino-5-[3-(1,3-benzothiazol-2-ylamino)propyl]-1H-pyrazole-4-carbonitrile
IUPAC NAME: 3-amino-5-[3-(1,3-benzothiazol-2-ylamino)propyl]-1H-pyrazole-4-carbonitrile
SYSTEMATIC NAME: 3-azanyl-5-[3-(1,3-benzothiazol-2-ylamino)propyl]-1H-pyrazole-4-carbonitrile
MOLECULAR FORMULA: C14H14N6S
MOLECULAR WEIGHT: 298.36616
SMILES: C1=CC=C2C(=C1)N=C(S2)NCCCC3=C(C(=NN3)N)C#N
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,3-benzothiazol-2-amine
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,3-benzothiazol-2-amine
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C16H14N2O2S
MOLECULAR WEIGHT: 298.35956
SMILES: C1C(OC2=CC=CC=C2O1)CNC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CAS Name: 1-(1,3-benzothiazol-2-yl)-3-piperidinecarboxamide
IUPAC NAME: 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SYSTEMATIC NAME: 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxamide
MOLECULAR FORMULA: C13H15N3OS
MOLECULAR WEIGHT: 261.3427
SMILES: C1CC(CN(C1)C2=NC3=CC=CC=C3S2)C(=O)N
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Product OPENEYE NAME: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]thiazole
CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]thiazole
IUPAC NAME: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1,3-thiazole
SYSTEMATIC NAME: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-1,3-thiazole
MOLECULAR FORMULA: C16H18N2O2S
MOLECULAR WEIGHT: 302.39132
SMILES: C1CC(N(C1)C2=NC=CS2)C3=CC4=C(C=C3)OCCCO4
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