Monday, April 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C25H34N4O2+2
MOLECULAR WEIGHT: 422.56306
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)N3CCCC4=CC=CC=C43
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Product OPENEYE NAME: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C25H32N4O2
MOLECULAR WEIGHT: 420.54718
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(=O)N3CCCC4=CC=CC=C43
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Product OPENEYE NAME: 1-(1-adamantylmethyl)-3-allyl-thiourea
CAS Name: 1-(1-adamantylmethyl)-3-prop-2-enylthiourea
IUPAC NAME: 1-(1-adamantylmethyl)-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-(1-adamantylmethyl)-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C15H24N2S
MOLECULAR WEIGHT: 264.42946
SMILES: C=CCNC(=S)NCC12CC3CC(C1)CC(C3)C2
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazin-4-ium
MOLECULAR FORMULA: C19H24FN2O2S+
MOLECULAR WEIGHT: 363.469463
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
MOLECULAR FORMULA: C19H23FN2O2S
MOLECULAR WEIGHT: 362.461523
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)F
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Product OPENEYE NAME: 1-(1-adamantylmethyl)-3-(4-fluorophenyl)thiourea
CAS Name: 1-(1-adamantylmethyl)-3-(4-fluorophenyl)thiourea
IUPAC NAME: 1-(1-adamantylmethyl)-3-(4-fluorophenyl)thiourea
SYSTEMATIC NAME: 1-(1-adamantylmethyl)-3-(4-fluorophenyl)thiourea
MOLECULAR FORMULA: C18H23FN2S
MOLECULAR WEIGHT: 318.452023
SMILES: C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(methylcarbamoyl)acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)ethanamide
MOLECULAR FORMULA: C16H25N4O4S+
MOLECULAR WEIGHT: 369.4591
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC
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Product OPENEYE NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(methylcarbamoyl)acetamide
IUPAC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)ethanamide
MOLECULAR FORMULA: C16H24N4O4S
MOLECULAR WEIGHT: 368.45116
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NC
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Product OPENEYE NAME: [(1R)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H20O4
MOLECULAR WEIGHT: 336.3811
SMILES: CC1=CC(=C(C=C1)C)C(=O)[C@@H](C)OC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: N-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CAS Name: N-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
IUPAC NAME: N-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
MOLECULAR FORMULA: C14H12FNOS
MOLECULAR WEIGHT: 261.314583
SMILES: C1CC2=C(C1)SC(=C2)C(=O)NC3=CC=C(C=C3)F
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