Monday, May 6, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N'-[2-[[(R)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl]-N-methyl-oxamide
CAS Name: N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-methyloxamide
IUPAC NAME: N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-methyloxamide
SYSTEMATIC NAME: N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]-N-methyl-ethanediamide
MOLECULAR FORMULA: C16H16FN3O3S
MOLECULAR WEIGHT: 349.379943
SMILES: CNC(=O)C(=O)NCC(=O)N[C@H](C1=CC=C(C=C1)F)C2=CC=CS2
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Product OPENEYE NAME: N'-[(4-tert-butylphenyl)methyl]-N-ethyl-oxamide
CAS Name: N'-[(4-tert-butylphenyl)methyl]-N-ethyloxamide
IUPAC NAME: N'-[(4-tert-butylphenyl)methyl]-N-ethyloxamide
SYSTEMATIC NAME: N'-[(4-tert-butylphenyl)methyl]-N-ethyl-ethanediamide
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: CCNC(=O)C(=O)NCC1=CC=C(C=C1)C(C)(C)C
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Product OPENEYE NAME: 4-[(4-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CAS Name: 4-[(4-chlorophenyl)methyl]-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1-piperazinecarboxamide
IUPAC NAME: 4-[(4-chlorophenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
SYSTEMATIC NAME: 4-[(4-chlorophenyl)methyl]-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C23H27ClN4O2
MOLECULAR WEIGHT: 426.93908
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 4-[(2,5-dimethoxyphenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1-piperazinecarboxamide
IUPAC NAME: 4-[(2,5-dimethoxyphenyl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
SYSTEMATIC NAME: 4-[(2,5-dimethoxyphenyl)methyl]-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C25H32N4O4
MOLECULAR WEIGHT: 452.54598
SMILES: COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)NCC3=CC=C(C=C3)N4CCCC4=O
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Product OPENEYE NAME: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
IUPAC NAME: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
SYSTEMATIC NAME: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-[[3-(methylsulfonylamino)phenyl]methyl]urea
MOLECULAR FORMULA: C21H28ClN4O3S+
MOLECULAR WEIGHT: 451.99002
SMILES: CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
IUPAC NAME: 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
SYSTEMATIC NAME: 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[[3-(methylsulfonylamino)phenyl]methyl]urea
MOLECULAR FORMULA: C21H27ClN4O3S
MOLECULAR WEIGHT: 450.98208
SMILES: CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-[(4R)-6-fluorothiochroman-4-yl]-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea
CAS Name: 1-[(4R)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]urea
IUPAC NAME: 1-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea
SYSTEMATIC NAME: 1-[(4R)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea
MOLECULAR FORMULA: C22H27FN3OS+
MOLECULAR WEIGHT: 400.532683
SMILES: C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)N[C@@H]3CCSC4=C3C=C(C=C4)F
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Product OPENEYE NAME: 1-[(4R)-6-fluorothiochroman-4-yl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CAS Name: 1-[(4R)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]urea
IUPAC NAME: 1-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
SYSTEMATIC NAME: 1-[(4R)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
MOLECULAR FORMULA: C22H26FN3OS
MOLECULAR WEIGHT: 399.524743
SMILES: C1CCN(C1)CC2=CC=CC=C2CNC(=O)N[C@@H]3CCSC4=C3C=C(C=C4)F
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Product OPENEYE NAME: 1-[(4S)-6-fluorothiochroman-4-yl]-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea
CAS Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]urea
IUPAC NAME: 1-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea
SYSTEMATIC NAME: 1-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea
MOLECULAR FORMULA: C22H27FN3OS+
MOLECULAR WEIGHT: 400.532683
SMILES: C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)N[C@H]3CCSC4=C3C=C(C=C4)F
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Product OPENEYE NAME: 1-[(4S)-6-fluorothiochroman-4-yl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CAS Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]urea
IUPAC NAME: 1-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
SYSTEMATIC NAME: 1-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
MOLECULAR FORMULA: C22H26FN3OS
MOLECULAR WEIGHT: 399.524743
SMILES: C1CCN(C1)CC2=CC=CC=C2CNC(=O)N[C@H]3CCSC4=C3C=C(C=C4)F
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Product OPENEYE NAME: N-[(1S)-2-methyl-1-[4-[(1R)-1-methylpropyl]phenyl]propyl]-4-pyrazin-2-yl-piperazine-1-carboxamide
CAS Name: N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-4-(2-pyrazinyl)-1-piperazinecarboxamide
IUPAC NAME: N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SYSTEMATIC NAME: N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methyl-propyl]-4-pyrazin-2-yl-piperazine-1-carboxamide
MOLECULAR FORMULA: C23H33N5O
MOLECULAR WEIGHT: 395.54102
SMILES: CC[C@@H](C)C1=CC=C(C=C1)[C@H](C(C)C)NC(=O)N2CCN(CC2)C3=NC=CN=C3
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Product OPENEYE NAME: N-[(1S)-2-methyl-1-[4-[(1S)-1-methylpropyl]phenyl]propyl]-4-pyrazin-2-yl-piperazine-1-carboxamide
CAS Name: N-[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-4-(2-pyrazinyl)-1-piperazinecarboxamide
IUPAC NAME: N-[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SYSTEMATIC NAME: N-[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methyl-propyl]-4-pyrazin-2-yl-piperazine-1-carboxamide
MOLECULAR FORMULA: C23H33N5O
MOLECULAR WEIGHT: 395.54102
SMILES: CC[C@H](C)C1=CC=C(C=C1)[C@H](C(C)C)NC(=O)N2CCN(CC2)C3=NC=CN=C3
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Product OPENEYE NAME: N-[(1R)-2-methyl-1-[4-[(1R)-1-methylpropyl]phenyl]propyl]-4-pyrazin-2-yl-piperazine-1-carboxamide
CAS Name: N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-4-(2-pyrazinyl)-1-piperazinecarboxamide
IUPAC NAME: N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methyl-propyl]-4-pyrazin-2-yl-piperazine-1-carboxamide
MOLECULAR FORMULA: C23H33N5O
MOLECULAR WEIGHT: 395.54102
SMILES: CC[C@@H](C)C1=CC=C(C=C1)[C@@H](C(C)C)NC(=O)N2CCN(CC2)C3=NC=CN=C3
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Product OPENEYE NAME: N-[(1R)-2-methyl-1-[4-[(1S)-1-methylpropyl]phenyl]propyl]-4-pyrazin-2-yl-piperazine-1-carboxamide
CAS Name: N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-4-(2-pyrazinyl)-1-piperazinecarboxamide
IUPAC NAME: N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methyl-propyl]-4-pyrazin-2-yl-piperazine-1-carboxamide
MOLECULAR FORMULA: C23H33N5O
MOLECULAR WEIGHT: 395.54102
SMILES: CC[C@H](C)C1=CC=C(C=C1)[C@@H](C(C)C)NC(=O)N2CCN(CC2)C3=NC=CN=C3
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Product OPENEYE NAME: 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-[(2-morpholinosulfonylphenyl)methyl]urea
CAS Name: 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-[[2-(4-morpholinylsulfonyl)phenyl]methyl]urea
IUPAC NAME: 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
SYSTEMATIC NAME: 1-[2-(4-chloranylphenoxy)ethyl]-1-methyl-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
MOLECULAR FORMULA: C21H26ClN3O5S
MOLECULAR WEIGHT: 467.96624
SMILES: CN(CCOC1=CC=C(C=C1)Cl)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCOCC3
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Product OPENEYE NAME: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-[(2-morpholinosulfonylphenyl)methyl]urea
CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-methyl-3-[[2-(4-morpholinylsulfonyl)phenyl]methyl]urea
IUPAC NAME: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methyl-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
SYSTEMATIC NAME: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
MOLECULAR FORMULA: C25H31N5O4S
MOLECULAR WEIGHT: 497.60974
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)NCC3=CC=CC=C3S(=O)(=O)N4CCOCC4
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Product OPENEYE NAME: 1-[2-(2-chlorophenoxy)ethyl]-1-methyl-3-[(2-morpholinosulfonylphenyl)methyl]urea
CAS Name: 1-[2-(2-chlorophenoxy)ethyl]-1-methyl-3-[[2-(4-morpholinylsulfonyl)phenyl]methyl]urea
IUPAC NAME: 1-[2-(2-chlorophenoxy)ethyl]-1-methyl-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
SYSTEMATIC NAME: 1-[2-(2-chloranylphenoxy)ethyl]-1-methyl-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
MOLECULAR FORMULA: C21H26ClN3O5S
MOLECULAR WEIGHT: 467.96624
SMILES: CN(CCOC1=CC=CC=C1Cl)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCOCC3
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Product OPENEYE NAME: N-[(2-morpholinosulfonylphenyl)methyl]-4-thiazol-2-yl-piperazine-1-carboxamide
CAS Name: N-[[2-(4-morpholinylsulfonyl)phenyl]methyl]-4-(2-thiazolyl)-1-piperazinecarboxamide
IUPAC NAME: N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SYSTEMATIC NAME: N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
MOLECULAR FORMULA: C19H25N5O4S2
MOLECULAR WEIGHT: 451.5629
SMILES: C1CN(CCN1C2=NC=CS2)C(=O)NCC3=CC=CC=C3S(=O)(=O)N4CCOCC4
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Product OPENEYE NAME: tert-butyl 4-[(2-morpholinosulfonylphenyl)methylcarbamoyl]piperazine-1-carboxylate
CAS Name: 4-[[[2-(4-morpholinylsulfonyl)phenyl]methylamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[(2-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[(2-morpholin-4-ylsulfonylphenyl)methylcarbamoyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C21H32N4O6S
MOLECULAR WEIGHT: 468.56698
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCOCC3
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Product OPENEYE NAME: 4-(1H-indol-3-yl)-N-[(2-morpholinosulfonylphenyl)methyl]piperidine-1-carboxamide
CAS Name: 4-(1H-indol-3-yl)-N-[[2-(4-morpholinylsulfonyl)phenyl]methyl]-1-piperidinecarboxamide
IUPAC NAME: 4-(1H-indol-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]piperidine-1-carboxamide
SYSTEMATIC NAME: 4-(1H-indol-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]piperidine-1-carboxamide
MOLECULAR FORMULA: C25H30N4O4S
MOLECULAR WEIGHT: 482.5951
SMILES: C1CN(CCC1C2=CNC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4S(=O)(=O)N5CCOCC5
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Product OPENEYE NAME: 4-(4-hydroxyphenyl)-N-[(2-morpholinosulfonylphenyl)methyl]piperidine-1-carboxamide
CAS Name: 4-(4-hydroxyphenyl)-N-[[2-(4-morpholinylsulfonyl)phenyl]methyl]-1-piperidinecarboxamide
IUPAC NAME: 4-(4-hydroxyphenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]piperidine-1-carboxamide
SYSTEMATIC NAME: 4-(4-hydroxyphenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]piperidine-1-carboxamide
MOLECULAR FORMULA: C23H29N3O5S
MOLECULAR WEIGHT: 459.55846
SMILES: C1CN(CCC1C2=CC=C(C=C2)O)C(=O)NCC3=CC=CC=C3S(=O)(=O)N4CCOCC4
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Product OPENEYE NAME: 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylpyrazol-4-yl)methyl]urea
CAS Name: 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenyl-4-pyrazolyl)methyl]urea
IUPAC NAME: 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylpyrazol-4-yl)methyl]urea
SYSTEMATIC NAME: 1-[(4-bromophenyl)methyl]-1-methyl-3-[(1-phenylpyrazol-4-yl)methyl]urea
MOLECULAR FORMULA: C19H19BrN4O
MOLECULAR WEIGHT: 399.28436
SMILES: CN(CC1=CC=C(C=C1)Br)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3
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