Monday, November 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(4-chlorophenyl)-3,5-diphenyl-tetrazol-2-ium chloride
CAS Name: 2-(4-chlorophenyl)-3,5-diphenyltetrazol-2-ium chloride
IUPAC NAME: 2-(4-chlorophenyl)-3,5-diphenyltetrazol-2-ium chloride
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3,5-diphenyl-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C19H14Cl2N4
MOLECULAR WEIGHT: 369.24726
SMILES: C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: 5-(4-benzyloxyphenyl)-2-(4-chlorophenyl)-3-phenyl-tetrazol-2-ium chloride
CAS Name: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium chloride
IUPAC NAME: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium chloride
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-2-ium chloride
MOLECULAR FORMULA: C26H20Cl2N4O
MOLECULAR WEIGHT: 475.3692
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5.[Cl-]
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Product OPENEYE NAME: 5-(4-benzyloxyphenyl)-2-(4-chlorophenyl)-3-phenyl-tetrazol-2-ium
CAS Name: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium
IUPAC NAME: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)tetrazol-2-ium
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-phenyl-5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-2-ium
MOLECULAR FORMULA: C26H20ClN4O+
MOLECULAR WEIGHT: 439.9162
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN([N+](=N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
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Product OPENEYE NAME: 5-methoxy-2-(2-pyrrolidin-1-ylethyl)-1H-indole
CAS Name: 5-methoxy-2-[2-(1-pyrrolidinyl)ethyl]-1H-indole
IUPAC NAME: 5-methoxy-2-(2-pyrrolidin-1-ylethyl)-1H-indole
SYSTEMATIC NAME: 5-methoxy-2-(2-pyrrolidin-1-ylethyl)-1H-indole
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: COC1=CC2=C(C=C1)NC(=C2)CCN3CCCC3
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Product OPENEYE NAME: 5-methoxy-2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1H-indole
CAS Name: 5-methoxy-2-[2-[(2S)-2-methyl-1-pyrrolidinyl]ethyl]-1H-indole
IUPAC NAME: 5-methoxy-2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1H-indole
SYSTEMATIC NAME: 5-methoxy-2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1H-indole
MOLECULAR FORMULA: C16H22N2O
MOLECULAR WEIGHT: 258.35868
SMILES: C[C@H]1CCCN1CCC2=CC3=C(N2)C=CC(=C3)OC
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Product OPENEYE NAME: (2R)-2,6-diamino-N-[2-[[4-[2-[[(2R)-2,6-diaminohexanoyl]amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethyl]hexanamide
CAS Name: (2R)-2,6-diamino-N-[2-[[4-[2-[[(2R)-2,6-diamino-1-oxohexyl]amino]ethylamino]-9,10-dioxo-1-anthracenyl]amino]ethyl]hexanamide
IUPAC NAME: (2R)-2,6-diamino-N-[2-[[4-[2-[[(2R)-2,6-diaminohexanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]hexanamide
SYSTEMATIC NAME: (2R)-2,6-bis(azanyl)-N-[2-[[4-[2-[[(2R)-2,6-bis(azanyl)hexanoyl]amino]ethylamino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethyl]hexanamide
MOLECULAR FORMULA: C30H44N8O4
MOLECULAR WEIGHT: 580.72156
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNC(=O)[C@@H](CCCCN)N)NCCNC(=O)[C@@H](CCCCN)N
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Product OPENEYE NAME: 4-(4-methoxyphenyl)-2-oxo-N,3-bis(3,4,5-trimethoxyphenyl)imidazole-1-carboxamide
CAS Name: 4-(4-methoxyphenyl)-2-oxo-N,3-bis(3,4,5-trimethoxyphenyl)-1-imidazolecarboxamide
IUPAC NAME: 4-(4-methoxyphenyl)-2-oxo-N,3-bis(3,4,5-trimethoxyphenyl)imidazole-1-carboxamide
SYSTEMATIC NAME: 4-(4-methoxyphenyl)-2-oxidanylidene-N,3-bis(3,4,5-trimethoxyphenyl)imidazole-1-carboxamide
MOLECULAR FORMULA: C29H31N3O9
MOLECULAR WEIGHT: 565.57114
SMILES: COC1=CC=C(C=C1)C2=CN(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC
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Product OPENEYE NAME: N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-isopropyl-pyrrolidine-3-carbonyl]piperazin-1-yl]-3-fluoro-phenyl]-2-methyl-propyl]-3-(dimethylamino)propanamide
CAS Name: N-[(1S)-1-[2-[4-[[(3S,4R)-4-(4-chlorophenyl)-1-propan-2-yl-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]-3-fluorophenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
IUPAC NAME: N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperazin-1-yl]-3-fluorophenyl]-2-methylpropyl]-3-(dimethylamino)propanamide
SYSTEMATIC NAME: N-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-propan-2-yl-pyrrolidin-3-yl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]-2-methyl-propyl]-3-(dimethylamino)propanamide
MOLECULAR FORMULA: C33H47ClFN5O2
MOLECULAR WEIGHT: 600.209983
SMILES: CC(C)[C@@H](C1=C(C(=CC=C1)F)N2CCN(CC2)C(=O)[C@@H]3CN(C[C@H]3C4=CC=C(C=C4)Cl)C(C)C)NC(=O)CCN(C)C
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Product OPENEYE NAME: (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-5-guanidino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-guanidino-2-(3-methylbutanoylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanamide
CAS Name: (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1-oxobutyl)amino]-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopentyl]amino]-3-
IUPAC NAME: (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-(3-methylbutanoylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]a
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(3-methylbutanoylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-methyl-
MOLECULAR FORMULA: C47H76N14O8
MOLECULAR WEIGHT: 965.19534
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC(C)C
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Product OPENEYE NAME: 4-(4-hydroxyphenyl)-2-oxo-N,3-bis(3,4,5-trimethoxyphenyl)imidazole-1-carboxamide
CAS Name: 4-(4-hydroxyphenyl)-2-oxo-N,3-bis(3,4,5-trimethoxyphenyl)-1-imidazolecarboxamide
IUPAC NAME: 4-(4-hydroxyphenyl)-2-oxo-N,3-bis(3,4,5-trimethoxyphenyl)imidazole-1-carboxamide
SYSTEMATIC NAME: 4-(4-hydroxyphenyl)-2-oxidanylidene-N,3-bis(3,4,5-trimethoxyphenyl)imidazole-1-carboxamide
MOLECULAR FORMULA: C28H29N3O9
MOLECULAR WEIGHT: 551.54456
SMILES: COC1=CC(=CC(=C1OC)OC)NC(=O)N2C=C(N(C2=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)O
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Product OPENEYE NAME: [4-(4,5-dimethylthiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CAS Name: [4-(4,5-dimethyl-2-thiazolyl)-1-piperazinyl]-[(3S,5S)-5-[oxo(1-pyrrolidinyl)methyl]-3-pyrrolidinyl]methanone
IUPAC NAME: [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
SYSTEMATIC NAME: [4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-pyrrolidin-1-ylcarbonylpyrrolidin-3-yl]methanone
MOLECULAR FORMULA: C19H29N5O2S
MOLECULAR WEIGHT: 391.53086
SMILES: CC1=C(SC(=N1)N2CCN(CC2)C(=O)[C@H]3C[C@H](NC3)C(=O)N4CCCC4)C
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Product OPENEYE NAME: 4-(3-amino-4-methoxy-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one
CAS Name: 4-(3-amino-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one
IUPAC NAME: 4-(3-amino-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one
SYSTEMATIC NAME: 4-(3-azanyl-4-methoxy-phenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one
MOLECULAR FORMULA: C19H21N3O5
MOLECULAR WEIGHT: 371.38714
SMILES: COC1=C(C=C(C=C1)C2=CNC(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)N
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Product OPENEYE NAME: [4-(5-methylthiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CAS Name: [4-(5-methyl-2-thiazolyl)-1-piperazinyl]-[(3S,5S)-5-[oxo(1-pyrrolidinyl)methyl]-3-pyrrolidinyl]methanone
IUPAC NAME: [4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
SYSTEMATIC NAME: [4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-pyrrolidin-1-ylcarbonylpyrrolidin-3-yl]methanone
MOLECULAR FORMULA: C18H27N5O2S
MOLECULAR WEIGHT: 377.50428
SMILES: CC1=CN=C(S1)N2CCN(CC2)C(=O)[C@H]3C[C@H](NC3)C(=O)N4CCCC4
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Product OPENEYE NAME: (4S)-5-chloro-4-methyl-1,4-dihydroquinazolin-2-amine
CAS Name: (4S)-5-chloro-4-methyl-1,4-dihydroquinazolin-2-amine
IUPAC NAME: (4S)-5-chloro-4-methyl-1,4-dihydroquinazolin-2-amine
SYSTEMATIC NAME: (4S)-5-chloranyl-4-methyl-1,4-dihydroquinazolin-2-amine
MOLECULAR FORMULA: C9H10ClN3
MOLECULAR WEIGHT: 195.6488
SMILES: C[C@H]1C2=C(C=CC=C2Cl)NC(=N1)N
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Product OPENEYE NAME: (3R,6R)-3-indan-2-yl-1-[(1R)-1-(2-methyloxazol-4-yl)-2-morpholino-2-oxo-ethyl]-6-[(1R)-1-methylpropyl]piperazine-2,5-dione
CAS Name: (3R,6R)-6-[(2R)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-4-oxazolyl)-2-(4-morpholinyl)-2-oxoethyl]piperazine-2,5-dione
IUPAC NAME: (3R,6R)-6-[(2R)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
SYSTEMATIC NAME: (3R,6R)-6-[(2R)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione
MOLECULAR FORMULA: C27H34N4O5
MOLECULAR WEIGHT: 494.58266
SMILES: CC[C@@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](C2=COC(=N2)C)C(=O)N3CCOCC3)C4CC5=CC=CC=C5C4
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Product OPENEYE NAME: (2R)-2-(2-furyl)-2-[(2R,5R)-5-indan-2-yl-2-isobutyl-3,6-dioxo-piperazin-1-yl]-N-isopropyl-acetamide
CAS Name: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxo-1-piperazinyl]-2-(2-furanyl)-N-propan-2-ylacetamide
IUPAC NAME: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(furan-2-yl)-N-propan-2-ylacetamide
SYSTEMATIC NAME: (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-bis(oxidanylidene)piperazin-1-yl]-2-(furan-2-yl)-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C26H33N3O4
MOLECULAR WEIGHT: 451.55792
SMILES: CC(C)C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](C2=CC=CO2)C(=O)NC(C)C)C3CC4=CC=CC=C4C3
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