Monday, June 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-methylbenzo[c]quinolizin-11-ium
CAS Name: 2-methylbenzo[c]quinolizin-11-ium
IUPAC NAME: 2-methylbenzo[c]quinolizin-11-ium
SYSTEMATIC NAME: 2-methylbenzo[c]quinolizin-11-ium
MOLECULAR FORMULA: C14H12N+
MOLECULAR WEIGHT: 194.25178
SMILES: CC1=C[N+]2=C(C=C1)C=CC3=CC=CC=C32
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Product OPENEYE NAME: 5-methylbenzo[c]quinolizin-11-ium
CAS Name: 5-methylbenzo[c]quinolizin-11-ium
IUPAC NAME: 5-methylbenzo[c]quinolizin-11-ium
SYSTEMATIC NAME: 5-methylbenzo[c]quinolizin-11-ium
MOLECULAR FORMULA: C14H12N+
MOLECULAR WEIGHT: 194.25178
SMILES: CC1=CC2=CC=CC=C2[N+]3=CC=CC=C13
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Product OPENEYE NAME: 6-methylbenzo[c]quinolizin-11-ium
CAS Name: 6-methylbenzo[c]quinolizin-11-ium
IUPAC NAME: 6-methylbenzo[c]quinolizin-11-ium
SYSTEMATIC NAME: 6-methylbenzo[c]quinolizin-11-ium
MOLECULAR FORMULA: C14H12N+
MOLECULAR WEIGHT: 194.25178
SMILES: CC1=CC2=CC=CC=[N+]2C3=CC=CC=C13
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Product OPENEYE NAME: 1-[(E)-2-(4-methoxyphenyl)vinyl]benzo[c]quinolizin-11-ium
CAS Name: 1-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[c]quinolizin-11-ium
IUPAC NAME: 1-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[c]quinolizin-11-ium
SYSTEMATIC NAME: 1-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[c]quinolizin-11-ium
MOLECULAR FORMULA: C22H18NO+
MOLECULAR WEIGHT: 312.38442
SMILES: COC1=CC=C(C=C1)/C=C/C2=CC=CC3=[N+]2C4=CC=CC=C4C=C3
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Product OPENEYE NAME: 2-[(E)-2-(4-methoxyphenyl)vinyl]benzo[c]quinolizin-11-ium
CAS Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[c]quinolizin-11-ium
IUPAC NAME: 2-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[c]quinolizin-11-ium
SYSTEMATIC NAME: 2-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[c]quinolizin-11-ium
MOLECULAR FORMULA: C22H18NO+
MOLECULAR WEIGHT: 312.38442
SMILES: COC1=CC=C(C=C1)/C=C/C2=C[N+]3=C(C=CC4=CC=CC=C43)C=C2
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Product OPENEYE NAME: 3-[(E)-2-(4-methoxyphenyl)vinyl]benzo[c]quinolizin-11-ium
CAS Name: 3-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[c]quinolizin-11-ium
IUPAC NAME: 3-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[c]quinolizin-11-ium
SYSTEMATIC NAME: 3-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[c]quinolizin-11-ium
MOLECULAR FORMULA: C22H18NO+
MOLECULAR WEIGHT: 312.38442
SMILES: COC1=CC=C(C=C1)/C=C/C2=CC3=[N+](C=C2)C4=CC=CC=C4C=C3
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Product OPENEYE NAME: 6-[(E)-2-(4-methoxyphenyl)vinyl]benzo[c]quinolizin-11-ium
CAS Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[c]quinolizin-11-ium
IUPAC NAME: 6-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[c]quinolizin-11-ium
SYSTEMATIC NAME: 6-[(E)-2-(4-methoxyphenyl)ethenyl]benzo[c]quinolizin-11-ium
MOLECULAR FORMULA: C22H18NO+
MOLECULAR WEIGHT: 312.38442
SMILES: COC1=CC=C(C=C1)/C=C/C2=CC3=CC=CC=[N+]3C4=CC=CC=C42
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Product OPENEYE NAME: ethyl (1S,2R)-2-aminocyclopentanecarboxylate
CAS Name: (1S,2R)-2-amino-1-cyclopentanecarboxylic acid ethyl ester
IUPAC NAME: ethyl (1S,2R)-2-aminocyclopentane-1-carboxylate
SYSTEMATIC NAME: ethyl (1S,2R)-2-azanylcyclopentane-1-carboxylate
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: CCOC(=O)[C@H]1CCC[C@H]1N
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Product OPENEYE NAME: ethyl (1S,6S)-6-aminocyclohex-3-ene-1-carboxylate
CAS Name: (1S,6S)-6-amino-1-cyclohex-3-enecarboxylic acid ethyl ester
IUPAC NAME: ethyl (1S,6S)-6-aminocyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: ethyl (1S,6S)-6-azanylcyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C9H15NO2
MOLECULAR WEIGHT: 169.2209
SMILES: CCOC(=O)[C@H]1CC=CC[C@@H]1N
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Product OPENEYE NAME: ethyl (1S,6S)-6-ureidocyclohex-3-ene-1-carboxylate
CAS Name: (1S,6S)-6-(carbamoylamino)-1-cyclohex-3-enecarboxylic acid ethyl ester
IUPAC NAME: ethyl (1S,6S)-6-(carbamoylamino)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: ethyl (1S,6S)-6-(aminocarbonylamino)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C10H16N2O3
MOLECULAR WEIGHT: 212.24564
SMILES: CCOC(=O)[C@H]1CC=CC[C@@H]1NC(=O)N
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Product OPENEYE NAME: 1-phenyl-3,4-bis(phenylsulfanyl)quinolin-2-one
CAS Name: 1-phenyl-3,4-bis(phenylthio)-2-quinolinone
IUPAC NAME: 1-phenyl-3,4-bis(phenylsulfanyl)quinolin-2-one
SYSTEMATIC NAME: 1-phenyl-3,4-bis(phenylsulfanyl)quinolin-2-one
MOLECULAR FORMULA: C27H19NOS2
MOLECULAR WEIGHT: 437.57586
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)SC4=CC=CC=C4)SC5=CC=CC=C5
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Product OPENEYE NAME: 2-morpholino-4,6-dioxo-1H-pyridine-3-carbonitrile
CAS Name: 2-(4-morpholinyl)-4,6-dioxo-1H-pyridine-3-carbonitrile
IUPAC NAME: 2-morpholin-4-yl-4,6-dioxo-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-morpholin-4-yl-4,6-bis(oxidanylidene)-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C10H11N3O3
MOLECULAR WEIGHT: 221.21264
SMILES: C1COCCN1C2=C(C(=O)CC(=O)N2)C#N
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Product OPENEYE NAME: 2-(4-methylpiperazin-1-yl)-4,6-dioxo-1H-pyridine-3-carbonitrile
CAS Name: 2-(4-methyl-1-piperazinyl)-4,6-dioxo-1H-pyridine-3-carbonitrile
IUPAC NAME: 2-(4-methylpiperazin-1-yl)-4,6-dioxo-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-(4-methylpiperazin-1-yl)-4,6-bis(oxidanylidene)-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C11H14N4O2
MOLECULAR WEIGHT: 234.25446
SMILES: CN1CCN(CC1)C2=C(C(=O)CC(=O)N2)C#N
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Product OPENEYE NAME: 4,6-dioxo-2-(4-phenylpiperazin-1-yl)-1H-pyridine-3-carbonitrile
CAS Name: 4,6-dioxo-2-(4-phenyl-1-piperazinyl)-1H-pyridine-3-carbonitrile
IUPAC NAME: 4,6-dioxo-2-(4-phenylpiperazin-1-yl)-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 4,6-bis(oxidanylidene)-2-(4-phenylpiperazin-1-yl)-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C16H16N4O2
MOLECULAR WEIGHT: 296.32384
SMILES: C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)CC(=O)N3)C#N
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Product OPENEYE NAME: ethyl 4-(3-cyano-4,6-dioxo-1H-pyridin-2-yl)piperazine-1-carboxylate
CAS Name: 4-(3-cyano-4,6-dioxo-1H-pyridin-2-yl)-1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(3-cyano-4,6-dioxo-1H-pyridin-2-yl)piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[3-cyano-4,6-bis(oxidanylidene)-1H-pyridin-2-yl]piperazine-1-carboxylate
MOLECULAR FORMULA: C13H16N4O4
MOLECULAR WEIGHT: 292.29054
SMILES: CCOC(=O)N1CCN(CC1)C2=C(C(=O)CC(=O)N2)C#N
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Product OPENEYE NAME: 5-ethyl-4,6-dioxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile
CAS Name: 5-ethyl-4,6-dioxo-2-(1-pyrrolidinyl)-1H-pyridine-3-carbonitrile
IUPAC NAME: 5-ethyl-4,6-dioxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 5-ethyl-4,6-bis(oxidanylidene)-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C12H15N3O2
MOLECULAR WEIGHT: 233.2664
SMILES: CCC1C(=O)C(=C(NC1=O)N2CCCC2)C#N
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Product OPENEYE NAME: 5-ethyl-2-morpholino-4,6-dioxo-1H-pyridine-3-carbonitrile
CAS Name: 5-ethyl-2-(4-morpholinyl)-4,6-dioxo-1H-pyridine-3-carbonitrile
IUPAC NAME: 5-ethyl-2-morpholin-4-yl-4,6-dioxo-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 5-ethyl-2-morpholin-4-yl-4,6-bis(oxidanylidene)-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C12H15N3O3
MOLECULAR WEIGHT: 249.2658
SMILES: CCC1C(=O)C(=C(NC1=O)N2CCOCC2)C#N
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Product OPENEYE NAME: 5-ethyl-2-(4-methylpiperazin-1-yl)-4,6-dioxo-1H-pyridine-3-carbonitrile
CAS Name: 5-ethyl-2-(4-methyl-1-piperazinyl)-4,6-dioxo-1H-pyridine-3-carbonitrile
IUPAC NAME: 5-ethyl-2-(4-methylpiperazin-1-yl)-4,6-dioxo-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 5-ethyl-2-(4-methylpiperazin-1-yl)-4,6-bis(oxidanylidene)-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C13H18N4O2
MOLECULAR WEIGHT: 262.30762
SMILES: CCC1C(=O)C(=C(NC1=O)N2CCN(CC2)C)C#N
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Product OPENEYE NAME: 5-ethyl-4,6-dioxo-2-(4-phenylpiperazin-1-yl)-1H-pyridine-3-carbonitrile
CAS Name: 5-ethyl-4,6-dioxo-2-(4-phenyl-1-piperazinyl)-1H-pyridine-3-carbonitrile
IUPAC NAME: 5-ethyl-4,6-dioxo-2-(4-phenylpiperazin-1-yl)-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 5-ethyl-4,6-bis(oxidanylidene)-2-(4-phenylpiperazin-1-yl)-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C18H20N4O2
MOLECULAR WEIGHT: 324.377
SMILES: CCC1C(=O)C(=C(NC1=O)N2CCN(CC2)C3=CC=CC=C3)C#N
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Product OPENEYE NAME: ethyl 4-(3-cyano-5-ethyl-4,6-dioxo-1H-pyridin-2-yl)piperazine-1-carboxylate
CAS Name: 4-(3-cyano-5-ethyl-4,6-dioxo-1H-pyridin-2-yl)-1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(3-cyano-5-ethyl-4,6-dioxo-1H-pyridin-2-yl)piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[3-cyano-5-ethyl-4,6-bis(oxidanylidene)-1H-pyridin-2-yl]piperazine-1-carboxylate
MOLECULAR FORMULA: C15H20N4O4
MOLECULAR WEIGHT: 320.3437
SMILES: CCC1C(=O)C(=C(NC1=O)N2CCN(CC2)C(=O)OCC)C#N
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Product OPENEYE NAME: 4-[(Z)-2-nitroprop-1-enyl]xanthen-9-one
CAS Name: 4-[(Z)-2-nitroprop-1-enyl]-9-xanthenone
IUPAC NAME: 4-[(Z)-2-nitroprop-1-enyl]xanthen-9-one
SYSTEMATIC NAME: 4-[(Z)-2-nitroprop-1-enyl]xanthen-9-one
MOLECULAR FORMULA: C16H11NO4
MOLECULAR WEIGHT: 281.26284
SMILES: C/C(=C/C1=CC=CC2=C1OC3=CC=CC=C3C2=O)/[N+](=O)[O-]
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Product OPENEYE NAME: 1-[(Z)-2-nitroprop-1-enyl]xanthen-9-one
CAS Name: 1-[(Z)-2-nitroprop-1-enyl]-9-xanthenone
IUPAC NAME: 1-[(Z)-2-nitroprop-1-enyl]xanthen-9-one
SYSTEMATIC NAME: 1-[(Z)-2-nitroprop-1-enyl]xanthen-9-one
MOLECULAR FORMULA: C16H11NO4
MOLECULAR WEIGHT: 281.26284
SMILES: C/C(=C/C1=C2C(=CC=C1)OC3=CC=CC=C3C2=O)/[N+](=O)[O-]
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Product OPENEYE NAME: 1-acetonylxanthen-9-one
CAS Name: 1-(2-oxopropyl)-9-xanthenone
IUPAC NAME: 1-(2-oxopropyl)xanthen-9-one
SYSTEMATIC NAME: 1-(2-oxidanylidenepropyl)xanthen-9-one
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: CC(=O)CC1=C2C(=CC=C1)OC3=CC=CC=C3C2=O
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