Saturday, January 5, 2013

All Chemical Compounds Information



Product OPENEYE NAME: 1-acetyl-N-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]cyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide
CAS Name: 1-acetyl-N-[[(1S,4S,6S)-3-methyl-4-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-4-piperidinecarboxamide
IUPAC NAME: 1-acetyl-N-[[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-ethanoyl-N-[[(1S,4S,6S)-3-methyl-4-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C30H45N5O3
MOLECULAR WEIGHT: 523.71
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC(=O)N2CCN(CC2)C3=CC=CC=N3)C(C)C)CNC(=O)C4CCN(CC4)C(=O)C
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Product OPENEYE NAME: N-[[(1S,4S,6S)-4-[2-[(4-cyanophenyl)methylamino]-2-oxo-ethyl]-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]methyl]cyclopropanecarboxamide
CAS Name: N-[[(1S,4S,6S)-4-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]methyl]cyclopropanecarboxamide
IUPAC NAME: N-[[(1S,4S,6S)-4-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[[(1S,4S,6S)-4-[2-[(4-cyanophenyl)methylamino]-2-oxidanylidene-ethyl]-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]cyclopropanecarboxamide
MOLECULAR FORMULA: C25H33N3O2
MOLECULAR WEIGHT: 407.54842
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC(=O)NCC2=CC=C(C=C2)C#N)C(C)C)CNC(=O)C3CC3
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Product OPENEYE NAME: 2-[[(1S,4S,5S)-5-isopropyl-2-methyl-4-(pyrrolidin-1-ylmethyl)cyclohex-2-en-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CAS Name: 2-methyl-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-(1-pyrrolidinylmethyl)-1-cyclohex-2-enyl]methyl]-1,3,4-oxadiazole
IUPAC NAME: 2-methyl-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-(pyrrolidin-1-ylmethyl)cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-methyl-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-(pyrrolidin-1-ylmethyl)cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C19H31N3O
MOLECULAR WEIGHT: 317.46894
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C)C(C)C)CN3CCCC3
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Product OPENEYE NAME: 2-[[(1S,4S,5S)-5-isopropyl-2-methyl-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]cyclohex-2-en-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CAS Name: 2-methyl-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-cyclohex-2-enyl]methyl]-1,3,4-oxadiazole
IUPAC NAME: 2-methyl-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-methyl-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C24H35N5O
MOLECULAR WEIGHT: 409.5676
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C)C(C)C)CN3CCN(CC3)C4=CC=CC=N4
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Product OPENEYE NAME: 1-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide
CAS Name: 1-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C21H34N4O2
MOLECULAR WEIGHT: 374.52026
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C)C(C)C)CN3CCC(CC3)C(=O)N
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Product OPENEYE NAME: N-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]-N-methyl-2-(2-pyridyl)ethanamine
CAS Name: N-methyl-N-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-2-(2-pyridinyl)ethanamine
IUPAC NAME: N-methyl-N-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-pyridin-2-ylethanamine
SYSTEMATIC NAME: N-methyl-N-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]-2-pyridin-2-yl-ethanamine
MOLECULAR FORMULA: C23H34N4O
MOLECULAR WEIGHT: 382.54226
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C)C(C)C)CN(C)CCC3=CC=CC=N3
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Product OPENEYE NAME: 1-[(1S,4S,6S)-6-isopropyl-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]-N-methyl-N-(3-pyridylmethyl)methanamine
CAS Name: N-methyl-1-[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-yl-1-cyclohex-2-enyl]-N-(3-pyridinylmethyl)methanamine
IUPAC NAME: N-methyl-1-[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)methanamine
SYSTEMATIC NAME: N-methyl-1-[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)methanamine
MOLECULAR FORMULA: C22H32N4O
MOLECULAR WEIGHT: 368.51568
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C)C(C)C)CN(C)CC3=CN=CC=C3
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Product OPENEYE NAME: 2-[[(1S,4S,5S)-5-isopropyl-4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-cyclohex-2-en-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CAS Name: 2-[[(1S,4S,5S)-4-[[4-(2-methoxyethyl)-1-piperazinyl]methyl]-2-methyl-5-propan-2-yl-1-cyclohex-2-enyl]methyl]-5-methyl-1,3,4-oxadiazole
IUPAC NAME: 2-[[(1S,4S,5S)-4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[(1S,4S,5S)-4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-yl-cyclohex-2-en-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C22H38N4O2
MOLECULAR WEIGHT: 390.56272
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C)C(C)C)CN3CCN(CC3)CCOC
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Product OPENEYE NAME: N-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]pyridin-2-amine
CAS Name: N-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-2-pyridinamine
IUPAC NAME: N-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine
SYSTEMATIC NAME: N-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]pyridin-2-amine
MOLECULAR FORMULA: C20H28N4O
MOLECULAR WEIGHT: 340.46252
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C)C(C)C)CNC3=CC=CC=N3
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Product OPENEYE NAME: N-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]-6-methoxy-pyridin-3-amine
CAS Name: 6-methoxy-N-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]-3-pyridinamine
IUPAC NAME: 6-methoxy-N-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-3-amine
SYSTEMATIC NAME: 6-methoxy-N-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]pyridin-3-amine
MOLECULAR FORMULA: C21H30N4O2
MOLECULAR WEIGHT: 370.4885
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C)C(C)C)CNC3=CN=C(C=C3)OC
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Product OPENEYE NAME: 2-(1H-imidazol-5-yl)-N-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]ethanamine
CAS Name: 2-(1H-imidazol-5-yl)-N-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-yl-1-cyclohex-2-enyl]methyl]ethanamine
IUPAC NAME: 2-(1H-imidazol-5-yl)-N-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethanamine
SYSTEMATIC NAME: 2-(1H-imidazol-5-yl)-N-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-yl-cyclohex-2-en-1-yl]methyl]ethanamine
MOLECULAR FORMULA: C25H33N5O
MOLECULAR WEIGHT: 419.56242
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=CC=C3)C(C)C)CNCCC4=CN=CN4
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Product OPENEYE NAME: 2-[[(1S,4S,5S)-5-isopropyl-2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CAS Name: 2-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-cyclohex-2-enyl]methyl]-5-phenyl-1,3,4-oxadiazole
IUPAC NAME: 2-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C28H36N6O
MOLECULAR WEIGHT: 472.62504
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=CC=C3)C(C)C)CN4CCN(CC4)C5=NC=CC=N5
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Product OPENEYE NAME: 2-[[(1S,4S,5S)-5-isopropyl-2-methyl-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]cyclohex-2-en-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CAS Name: 2-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-cyclohex-2-enyl]methyl]-5-phenyl-1,3,4-oxadiazole
IUPAC NAME: 2-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C29H37N5O
MOLECULAR WEIGHT: 471.63698
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=CC=C3)C(C)C)CN4CCN(CC4)C5=CC=CC=N5
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Product OPENEYE NAME: 2-[[(1S,4S,5S)-5-isopropyl-2-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CAS Name: 2-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-1-cyclohex-2-enyl]methyl]-5-phenyl-1,3,4-oxadiazole
IUPAC NAME: 2-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C28H36N6O
MOLECULAR WEIGHT: 472.62504
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=CC=C3)C(C)C)CN4CCN(CC4)C5=NC=CN=C5
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Product OPENEYE NAME: 1-[4-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]methyl]cyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanone
CAS Name: 1-[4-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclohex-2-enyl]methyl]-1-piperazinyl]ethanone
IUPAC NAME: 1-[4-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanone
MOLECULAR FORMULA: C25H35N5O2
MOLECULAR WEIGHT: 437.5777
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=NC=C3)C(C)C)CN4CCN(CC4)C(=O)C
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Product OPENEYE NAME: [1-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]methyl]cyclohex-2-en-1-yl]methyl]-4-piperidyl]methanol
CAS Name: [1-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclohex-2-enyl]methyl]-4-piperidinyl]methanol
IUPAC NAME: [1-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]piperidin-4-yl]methanol
SYSTEMATIC NAME: [1-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]piperidin-4-yl]methanol
MOLECULAR FORMULA: C25H36N4O2
MOLECULAR WEIGHT: 424.57894
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=NC=C3)C(C)C)CN4CCC(CC4)CO
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Product OPENEYE NAME: N-[[(1S,4S,6S)-6-isopropyl-3-methyl-4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]methyl]cyclohex-2-en-1-yl]methyl]cyclopropanamine
CAS Name: N-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclohex-2-enyl]methyl]cyclopropanamine
IUPAC NAME: N-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]cyclopropanamine
SYSTEMATIC NAME: N-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]cyclopropanamine
MOLECULAR FORMULA: C22H30N4O
MOLECULAR WEIGHT: 366.4998
SMILES: CC1=C[C@H]([C@@H](C[C@H]1CC2=NN=C(O2)C3=CC=NC=C3)C(C)C)CNC4CC4
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