Wednesday, June 19, 2013

All Chemical Compounds Information



Product OPENEYE NAME: 8-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
CAS Name: 8-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazinyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
IUPAC NAME: 8-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
SYSTEMATIC NAME: 8-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
MOLECULAR FORMULA: C23H28ClN5O3
MOLECULAR WEIGHT: 457.95312
SMILES: C[C@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)N3CCN(CC3)CN4C(=O)CC5(C4=O)CCCC5
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Product OPENEYE NAME: 8-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
CAS Name: 8-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazin-4-iumyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
IUPAC NAME: 8-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
SYSTEMATIC NAME: 8-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
MOLECULAR FORMULA: C23H29ClN5O3+
MOLECULAR WEIGHT: 458.96106
SMILES: C[C@@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)[NH+]3CCN(CC3)CN4C(=O)CC5(C4=O)CCCC5
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Product OPENEYE NAME: 8-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
CAS Name: 8-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazinyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
IUPAC NAME: 8-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
SYSTEMATIC NAME: 8-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
MOLECULAR FORMULA: C23H28ClN5O3
MOLECULAR WEIGHT: 457.95312
SMILES: C[C@@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)N3CCN(CC3)CN4C(=O)CC5(C4=O)CCCC5
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Product OPENEYE NAME: 3-[[4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one
CAS Name: 3-[[4-[(1R)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one
IUPAC NAME: 3-[[4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 3-[[4-[(1R)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C23H26N5O3+
MOLECULAR WEIGHT: 420.48424
SMILES: C[C@H](C1=NC(=NO1)CC2=CC=CC=C2)N3CC[NH+](CC3)CN4C5=CC=CC=C5OC4=O
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Product OPENEYE NAME: 3-[[4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CAS Name: 3-[[4-[(1R)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazinyl]methyl]-1,3-benzoxazol-2-one
IUPAC NAME: 3-[[4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 3-[[4-[(1R)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C23H25N5O3
MOLECULAR WEIGHT: 419.4763
SMILES: C[C@H](C1=NC(=NO1)CC2=CC=CC=C2)N3CCN(CC3)CN4C5=CC=CC=C5OC4=O
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Product OPENEYE NAME: 3-[[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one
CAS Name: 3-[[4-[(1S)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one
IUPAC NAME: 3-[[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 3-[[4-[(1S)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C23H26N5O3+
MOLECULAR WEIGHT: 420.48424
SMILES: C[C@@H](C1=NC(=NO1)CC2=CC=CC=C2)N3CC[NH+](CC3)CN4C5=CC=CC=C5OC4=O
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Product OPENEYE NAME: 3-[[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CAS Name: 3-[[4-[(1S)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazinyl]methyl]-1,3-benzoxazol-2-one
IUPAC NAME: 3-[[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 3-[[4-[(1S)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C23H25N5O3
MOLECULAR WEIGHT: 419.4763
SMILES: C[C@@H](C1=NC(=NO1)CC2=CC=CC=C2)N3CCN(CC3)CN4C5=CC=CC=C5OC4=O
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Product OPENEYE NAME: 5-benzyl-2-[[4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione
CAS Name: 4-methyl-5-(phenylmethyl)-2-[[4-[(1R)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione
IUPAC NAME: 5-benzyl-2-[[4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 4-methyl-5-(phenylmethyl)-2-[[4-[(1R)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C26H32N7OS+
MOLECULAR WEIGHT: 490.64358
SMILES: C[C@H](C1=NC(=NO1)CC2=CC=CC=C2)N3CC[NH+](CC3)CN4C(=S)N(C(=N4)CC5=CC=CC=C5)C
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Product OPENEYE NAME: 5-benzyl-2-[[4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione
CAS Name: 4-methyl-5-(phenylmethyl)-2-[[4-[(1R)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazinyl]methyl]-1,2,4-triazole-3-thione
IUPAC NAME: 5-benzyl-2-[[4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 4-methyl-5-(phenylmethyl)-2-[[4-[(1R)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C26H31N7OS
MOLECULAR WEIGHT: 489.63564
SMILES: C[C@H](C1=NC(=NO1)CC2=CC=CC=C2)N3CCN(CC3)CN4C(=S)N(C(=N4)CC5=CC=CC=C5)C
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Product OPENEYE NAME: 5-benzyl-2-[[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione
CAS Name: 4-methyl-5-(phenylmethyl)-2-[[4-[(1S)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione
IUPAC NAME: 5-benzyl-2-[[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 4-methyl-5-(phenylmethyl)-2-[[4-[(1S)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C26H32N7OS+
MOLECULAR WEIGHT: 490.64358
SMILES: C[C@@H](C1=NC(=NO1)CC2=CC=CC=C2)N3CC[NH+](CC3)CN4C(=S)N(C(=N4)CC5=CC=CC=C5)C
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Product OPENEYE NAME: 5-benzyl-2-[[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione
CAS Name: 4-methyl-5-(phenylmethyl)-2-[[4-[(1S)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazinyl]methyl]-1,2,4-triazole-3-thione
IUPAC NAME: 5-benzyl-2-[[4-[(1S)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 4-methyl-5-(phenylmethyl)-2-[[4-[(1S)-1-[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C26H31N7OS
MOLECULAR WEIGHT: 489.63564
SMILES: C[C@@H](C1=NC(=NO1)CC2=CC=CC=C2)N3CCN(CC3)CN4C(=S)N(C(=N4)CC5=CC=CC=C5)C
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Product OPENEYE NAME: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione
CAS Name: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione
IUPAC NAME: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C22H32N7S+
MOLECULAR WEIGHT: 426.60138
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCC[C@H](C3)C4=NN=CN4C
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Product OPENEYE NAME: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]methyl]-1,2,4-triazole-3-thione
CAS Name: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidinyl]methyl]-1,2,4-triazole-3-thione
IUPAC NAME: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C22H31N7S
MOLECULAR WEIGHT: 425.59344
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCC[C@H](C3)C4=NN=CN4C
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Product OPENEYE NAME: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione
CAS Name: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione
IUPAC NAME: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C22H32N7S+
MOLECULAR WEIGHT: 426.60138
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCC[C@@H](C3)C4=NN=CN4C
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Product OPENEYE NAME: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]methyl]-1,2,4-triazole-3-thione
CAS Name: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidinyl]methyl]-1,2,4-triazole-3-thione
IUPAC NAME: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 5-(4-tert-butylphenyl)-4-methyl-2-[[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C22H31N7S
MOLECULAR WEIGHT: 425.59344
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C)CN3CCC[C@@H](C3)C4=NN=CN4C
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Product OPENEYE NAME: 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
IUPAC NAME: 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SYSTEMATIC NAME: 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
MOLECULAR FORMULA: C21H24ClN3O
MOLECULAR WEIGHT: 369.88776
SMILES: C1CC2=CC=CC=C2N(C(=O)C1)CN3CCN(CC3)C4=CC(=CC=C4)Cl
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Product OPENEYE NAME: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
IUPAC NAME: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SYSTEMATIC NAME: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
MOLECULAR FORMULA: C23H28N3O3+
MOLECULAR WEIGHT: 394.48672
SMILES: C1CC2=CC=CC=C2N(C(=O)C1)CN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5
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Product OPENEYE NAME: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
IUPAC NAME: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SYSTEMATIC NAME: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
MOLECULAR FORMULA: C23H27N3O3
MOLECULAR WEIGHT: 393.47878
SMILES: C1CC2=CC=CC=C2N(C(=O)C1)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5
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