Sunday, February 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
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MOLECULAR FORMULA: C28H35Cl2N3O4
MOLECULAR WEIGHT: 548.5012
SMILES: CCC(C)N1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC(=CC(=C4)Cl)Cl)C(=O)NC5CCCC(C5C)C
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MOLECULAR FORMULA: C27H31Cl2N3O4
MOLECULAR WEIGHT: 532.45874
SMILES: CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2C5CC5)C(=O)NC6=CC(=CC(=C6)Cl)Cl
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MOLECULAR FORMULA: C33H43N3O5
MOLECULAR WEIGHT: 561.71162
SMILES: CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCC5=CCCCC5)C(=O)NC6=CC=C(C=C6)OC
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MOLECULAR FORMULA: C29H39N3O5
MOLECULAR WEIGHT: 509.63706
SMILES: CCC(C)N1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC=C(C=C4)OC)C(=O)NC5CCCC(C5C)C
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MOLECULAR FORMULA: C28H37N3O5
MOLECULAR WEIGHT: 495.61048
SMILES: CCCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC=C(C=C4)OC)C(=O)NC5CCCC(C5C)C
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MOLECULAR FORMULA: C28H35N3O5
MOLECULAR WEIGHT: 493.5946
SMILES: CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2C5CC5)C(=O)NC6=CC=C(C=C6)OC
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MOLECULAR FORMULA: C29H39N3O5
MOLECULAR WEIGHT: 509.63706
SMILES: CCCCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC=C(C=C4)OC)C(=O)NC5CCCC(C5C)C
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MOLECULAR FORMULA: C32H40ClN3O4
MOLECULAR WEIGHT: 566.1307
SMILES: CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CCC5=CCCCC5)C(=O)NC6=CC(=CC=C6)Cl
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MOLECULAR FORMULA: C28H36ClN3O4
MOLECULAR WEIGHT: 514.05614
SMILES: CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2C(C)(C)C)C(=O)NC5=CC(=CC=C5)Cl
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MOLECULAR FORMULA: C32H36ClN3O4
MOLECULAR WEIGHT: 562.09894
SMILES: CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CC5=CC=C(C=C5)C)C(=O)NC6=CC(=CC=C6)Cl
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MOLECULAR FORMULA: C27H34ClN3O4
MOLECULAR WEIGHT: 500.02956
SMILES: CCCN1C(C23C=CC(O2)C(C3C1=O)C(=O)NC4=CC(=CC=C4)Cl)C(=O)NC5CCCC(C5C)C
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MOLECULAR FORMULA: C29H32ClN3O4S
MOLECULAR WEIGHT: 554.10008
SMILES: CC1CCCC(C1C)NC(=O)C2C34C=CC(O3)C(C4C(=O)N2CC5=CC=CS5)C(=O)NC6=CC(=CC=C6)Cl
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Product OPENEYE NAME: 3-[2-(2-bromophenyl)vinyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one
CAS Name: 3-[2-(2-bromophenyl)ethenyl]-1-(4-nitrophenyl)-8-cyclohepta[c]pyrazolone
IUPAC NAME: 3-[2-(2-bromophenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one
SYSTEMATIC NAME: 3-[2-(2-bromophenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one
MOLECULAR FORMULA: C22H14BrN3O3
MOLECULAR WEIGHT: 448.26886
SMILES: C1=CC=C(C(=C1)C=CC2=NN(C3=C2C=CC=CC3=O)C4=CC=C(C=C4)[N+](=O)[O-])Br
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Product OPENEYE NAME: 8-amino-10-(4-chlorophenyl)-2-oxo-10H-pyrano[2,3-f]chromene-9-carbonitrile
CAS Name: 8-amino-10-(4-chlorophenyl)-2-oxo-10H-pyrano[2,3-f][1]benzopyran-9-carbonitrile
IUPAC NAME: 8-amino-10-(4-chlorophenyl)-2-oxo-10H-pyrano[2,3-f]chromene-9-carbonitrile
SYSTEMATIC NAME: 8-azanyl-10-(4-chlorophenyl)-2-oxidanylidene-10H-pyrano[2,3-f]chromene-9-carbonitrile
MOLECULAR FORMULA: C19H11ClN2O3
MOLECULAR WEIGHT: 350.75524
SMILES: C1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)C4=C1C=CC(=O)O4
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Product OPENEYE NAME: 1H-benzimidazol-2-ylmethyl N-(4-chlorophenyl)carbamodithioate
CAS Name: N-(4-chlorophenyl)carbamodithioic acid 1H-benzimidazol-2-ylmethyl ester
IUPAC NAME: 1H-benzimidazol-2-ylmethyl N-(4-chlorophenyl)carbamodithioate
SYSTEMATIC NAME: 1H-benzimidazol-2-ylmethyl N-(4-chlorophenyl)carbamodithioate
MOLECULAR FORMULA: C15H12ClN3S2
MOLECULAR WEIGHT: 333.85888
SMILES: C1=CC=C2C(=C1)NC(=N2)CSC(=S)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 5,6,7,8-tetrachloro-2-[2-(5,6,7,8-tetrachloro-1,3-dioxo-3a,4,4a,8a,9,9a-hexahydrobenzo[f]isoindol-2-yl)ethyl]-3a,4,4a,8a,9,9a-hexahydrobenzo[f]isoindole-1,3-dione
CAS Name: 5,6,7,8-tetrachloro-2-[2-(5,6,7,8-tetrachloro-1,3-dioxo-3a,4,4a,8a,9,9a-hexahydrobenzo[f]isoindol-2-yl)ethyl]-3a,4,4a,8a,9,9a-hexahydrobenzo[f]isoindole-1,3-dione
IUPAC NAME: 5,6,7,8-tetrachloro-2-[2-(5,6,7,8-tetrachloro-1,3-dioxo-3a,4,4a,8a,9,9a-hexahydrobenzo[f]isoindol-2-yl)ethyl]-3a,4,4a,8a,9,9a-hexahydrobenzo[f]isoindole-1,3-dione
SYSTEMATIC NAME: 5,6,7,8-tetrakis(chloranyl)-2-[2-[5,6,7,8-tetrakis(chloranyl)-1,3-bis(oxidanylidene)-3a,4,4a,8a,9,9a-hexahydrobenzo[f]isoindol-2-yl]ethyl]-3a,4,4a,8a,9,9a-hexahydrobenzo[f]isoindole-1,3-dione
MOLECULAR FORMULA: C26H20Cl8N2O4
MOLECULAR WEIGHT: 708.072
SMILES: C1C2C(CC3C1C(=O)N(C3=O)CCN4C(=O)C5CC6C(CC5C4=O)C(=C(C(=C6Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl
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Product OPENEYE NAME: N4-(4-ethoxyphenyl)-N2-(4-fluorophenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine
CAS Name: N4-(4-ethoxyphenyl)-N2-(4-fluorophenyl)-6-methyl-5-nitropyrimidine-2,4-diamine
IUPAC NAME: 4-N-(4-ethoxyphenyl)-2-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidine-2,4-diamine
SYSTEMATIC NAME: N4-(4-ethoxyphenyl)-N2-(4-fluorophenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C19H18FN5O3
MOLECULAR WEIGHT: 383.376323
SMILES: CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 4,6-diacetyl-3-nitro-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CAS Name: 4,6-diacetyl-3-nitro-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
IUPAC NAME: 4,6-diacetyl-3-nitro-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SYSTEMATIC NAME: 4,6-diethanoyl-3-nitro-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
MOLECULAR FORMULA: C8H9N5O6
MOLECULAR WEIGHT: 271.18696
SMILES: CC(=O)N1C2C(N(C(=O)N2)[N+](=O)[O-])N(C1=O)C(=O)C
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