Sunday, June 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [1-(difluoromethyl)imidazol-2-yl]methyl-[(4-fluorophenyl)methyl]-methyl-ammonium
CAS Name: [1-(difluoromethyl)-2-imidazolyl]methyl-[(4-fluorophenyl)methyl]-methylammonium
IUPAC NAME: [1-(difluoromethyl)imidazol-2-yl]methyl-[(4-fluorophenyl)methyl]-methylazanium
SYSTEMATIC NAME: [1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl-[(4-fluorophenyl)methyl]-methyl-azanium
MOLECULAR FORMULA: C13H15F3N3+
MOLECULAR WEIGHT: 270.27351
SMILES: C[NH+](CC1=CC=C(C=C1)F)CC2=NC=CN2C(F)F
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Product OPENEYE NAME: N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methyl-methanamine
CAS Name: N-[[1-(difluoromethyl)-2-imidazolyl]methyl]-1-(4-fluorophenyl)-N-methylmethanamine
IUPAC NAME: N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylmethanamine
SYSTEMATIC NAME: N-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methyl-methanamine
MOLECULAR FORMULA: C13H14F3N3
MOLECULAR WEIGHT: 269.26557
SMILES: CN(CC1=CC=C(C=C1)F)CC2=NC=CN2C(F)F
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Product OPENEYE NAME: 3-[(4-oxo-1H-quinazolin-2-yl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]carbamoyl]-6-(trifluoromethyl)pyridin-2-olate
CAS Name: 3-[oxo-[[(2S)-2-oxolanyl]methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-6-(trifluoromethyl)-2-pyridinolate
IUPAC NAME: 3-[[(2S)-oxolan-2-yl]methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]-6-(trifluoromethyl)pyridin-2-olate
SYSTEMATIC NAME: 3-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]-6-(trifluoromethyl)pyridin-2-olate
MOLECULAR FORMULA: C21H18F3N4O4-
MOLECULAR WEIGHT: 447.38723
SMILES: C1C[C@H](OC1)CN(CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(N=C(C=C4)C(F)(F)F)[O-]
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Product OPENEYE NAME: 2-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CAS Name: 2-oxo-N-[[(2S)-2-oxolanyl]methyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
IUPAC NAME: 2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SYSTEMATIC NAME: 2-oxidanylidene-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
MOLECULAR FORMULA: C21H19F3N4O4
MOLECULAR WEIGHT: 448.39517
SMILES: C1C[C@H](OC1)CN(CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=C(NC4=O)C(F)(F)F
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Product OPENEYE NAME: 3-[(4-oxo-1H-quinazolin-2-yl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]carbamoyl]-6-(trifluoromethyl)pyridin-2-olate
CAS Name: 3-[oxo-[[(2R)-2-oxolanyl]methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-6-(trifluoromethyl)-2-pyridinolate
IUPAC NAME: 3-[[(2R)-oxolan-2-yl]methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]-6-(trifluoromethyl)pyridin-2-olate
SYSTEMATIC NAME: 3-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]-6-(trifluoromethyl)pyridin-2-olate
MOLECULAR FORMULA: C21H18F3N4O4-
MOLECULAR WEIGHT: 447.38723
SMILES: C1C[C@@H](OC1)CN(CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(N=C(C=C4)C(F)(F)F)[O-]
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Product OPENEYE NAME: 2-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CAS Name: 2-oxo-N-[[(2R)-2-oxolanyl]methyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
IUPAC NAME: 2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SYSTEMATIC NAME: 2-oxidanylidene-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
MOLECULAR FORMULA: C21H19F3N4O4
MOLECULAR WEIGHT: 448.39517
SMILES: C1C[C@@H](OC1)CN(CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=C(NC4=O)C(F)(F)F
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Product OPENEYE NAME: 3-[[2-[butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N,N-dimethyl-benzamide
CAS Name: 3-[[2-[butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-1-oxoethyl]amino]-N,N-dimethylbenzamide
IUPAC NAME: 3-[[2-[butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N,N-dimethylbenzamide
SYSTEMATIC NAME: 3-[2-[butyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]ethanoylamino]-N,N-dimethyl-benzamide
MOLECULAR FORMULA: C24H29N5O3
MOLECULAR WEIGHT: 435.51876
SMILES: CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=CC(=C3)C(=O)N(C)C
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Product OPENEYE NAME: 5-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CAS Name: 5-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-3-methyl-1,2,4-oxadiazole
IUPAC NAME: 5-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C20H30N4O3S
MOLECULAR WEIGHT: 406.5422
SMILES: CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)CC3=NC(=NO3)C)C)C(C)(C)C
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Product OPENEYE NAME: N-[(S)-(3,4-dimethylphenyl)-phenyl-methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CAS Name: N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]-3-[(4S)-2,5-dioxo-4-imidazolidinyl]propanamide
IUPAC NAME: N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SYSTEMATIC NAME: 3-[(4S)-2,5-bis(oxidanylidene)imidazolidin-4-yl]-N-[(S)-(3,4-dimethylphenyl)-phenyl-methyl]propanamide
MOLECULAR FORMULA: C21H23N3O3
MOLECULAR WEIGHT: 365.42562
SMILES: CC1=C(C=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)CC[C@H]3C(=O)NC(=O)N3)C
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Product OPENEYE NAME: N-[(R)-(3,4-dimethylphenyl)-phenyl-methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CAS Name: N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-3-[(4S)-2,5-dioxo-4-imidazolidinyl]propanamide
IUPAC NAME: N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SYSTEMATIC NAME: 3-[(4S)-2,5-bis(oxidanylidene)imidazolidin-4-yl]-N-[(R)-(3,4-dimethylphenyl)-phenyl-methyl]propanamide
MOLECULAR FORMULA: C21H23N3O3
MOLECULAR WEIGHT: 365.42562
SMILES: CC1=C(C=C(C=C1)[C@@H](C2=CC=CC=C2)NC(=O)CC[C@H]3C(=O)NC(=O)N3)C
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Product OPENEYE NAME: N-[(S)-(3,4-dimethylphenyl)-phenyl-methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
CAS Name: N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]-3-[(4R)-2,5-dioxo-4-imidazolidinyl]propanamide
IUPAC NAME: N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
SYSTEMATIC NAME: 3-[(4R)-2,5-bis(oxidanylidene)imidazolidin-4-yl]-N-[(S)-(3,4-dimethylphenyl)-phenyl-methyl]propanamide
MOLECULAR FORMULA: C21H23N3O3
MOLECULAR WEIGHT: 365.42562
SMILES: CC1=C(C=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)CC[C@@H]3C(=O)NC(=O)N3)C
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Product OPENEYE NAME: N-[(R)-(3,4-dimethylphenyl)-phenyl-methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
CAS Name: N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-3-[(4R)-2,5-dioxo-4-imidazolidinyl]propanamide
IUPAC NAME: N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanamide
SYSTEMATIC NAME: 3-[(4R)-2,5-bis(oxidanylidene)imidazolidin-4-yl]-N-[(R)-(3,4-dimethylphenyl)-phenyl-methyl]propanamide
MOLECULAR FORMULA: C21H23N3O3
MOLECULAR WEIGHT: 365.42562
SMILES: CC1=C(C=C(C=C1)[C@@H](C2=CC=CC=C2)NC(=O)CC[C@@H]3C(=O)NC(=O)N3)C
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Product OPENEYE NAME: 3-[[(S)-(3,4-dimethylphenyl)-phenyl-methyl]carbamoyl]-6-(trifluoromethyl)pyridin-2-olate
CAS Name: 3-[[[(S)-(3,4-dimethylphenyl)-phenylmethyl]amino]-oxomethyl]-6-(trifluoromethyl)-2-pyridinolate
IUPAC NAME: 3-[[(S)-(3,4-dimethylphenyl)-phenylmethyl]carbamoyl]-6-(trifluoromethyl)pyridin-2-olate
SYSTEMATIC NAME: 3-[[(S)-(3,4-dimethylphenyl)-phenyl-methyl]carbamoyl]-6-(trifluoromethyl)pyridin-2-olate
MOLECULAR FORMULA: C22H18F3N2O2-
MOLECULAR WEIGHT: 399.38573
SMILES: CC1=C(C=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)C3=C(N=C(C=C3)C(F)(F)F)[O-])C
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