Thursday, December 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (2R,3R,4R,5R)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanamide
CAS Name: (2R,3R,4R,5R)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanamide
IUPAC NAME: (2R,3R,4R,5R)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
SYSTEMATIC NAME: (2R,3R,4R,5R)-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanamide
MOLECULAR FORMULA: C20H31NO13
MOLECULAR WEIGHT: 493.45904
SMILES: C1=CC(=C(C=C1CCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[[4-(3-fluoro-4-methoxy-phenoxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[[4-(3-fluoro-4-methoxyphenoxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[[4-(3-fluoro-4-methoxyphenoxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[4-(3-fluoranyl-4-methoxy-phenoxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C23H16Cl2FN3O5
MOLECULAR WEIGHT: 504.294643
SMILES: COC1=C(C=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3)F
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Product OPENEYE NAME: N-[[4-(4-bromophenoxy)phenyl]methyl]-3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
CAS Name: N-[[4-(4-bromophenoxy)phenyl]methyl]-3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: N-[[4-(4-bromophenoxy)phenyl]methyl]-3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[4-(4-bromanylphenoxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C22H14BrCl2N3O4
MOLECULAR WEIGHT: 535.17426
SMILES: C1=CC(=CC=C1CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)NO2)OC4=CC=C(C=C4)Br
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Product OPENEYE NAME: 3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CAS Name: 3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: 3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[4-[4-(trifluoromethyloxy)phenoxy]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C23H14Cl2F3N3O5
MOLECULAR WEIGHT: 540.27557
SMILES: C1=CC(=CC=C1CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)NO2)OC4=CC=C(C=C4)OC(F)(F)F
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Product OPENEYE NAME: N-[[4-(3-chloro-4-isopropoxy-phenoxy)phenyl]methyl]-3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
CAS Name: N-[[4-(3-chloro-4-propan-2-yloxyphenoxy)phenyl]methyl]-3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: N-[[4-(3-chloro-4-propan-2-yloxyphenoxy)phenyl]methyl]-3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[4-(3-chloranyl-4-propan-2-yloxy-phenoxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C25H20Cl3N3O5
MOLECULAR WEIGHT: 548.8024
SMILES: CC(C)OC1=C(C=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3)Cl
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Product OPENEYE NAME: N-[[4-(3-chlorophenoxy)phenyl]methyl]-3-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
CAS Name: N-[[4-(3-chlorophenoxy)phenyl]methyl]-3-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-1,2,4-oxadiazole-5-carboxamide
IUPAC NAME: N-[[4-(3-chlorophenoxy)phenyl]methyl]-3-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazole-5-carboxamide
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[4-(3-chloranylphenoxy)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
MOLECULAR FORMULA: C22H14Cl3N3O4
MOLECULAR WEIGHT: 490.72326
SMILES: C1=CC(=CC(=C1)Cl)OC2=CC=C(C=C2)CNC(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)NO3
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Product OPENEYE NAME: tert-butyl 2-[[2-cyano-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]methyl]morpholine-4-carboxylate
CAS Name: 2-[[2-cyano-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]methyl]-4-morpholinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-[[2-cyano-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]methyl]morpholine-4-carboxylate
SYSTEMATIC NAME: tert-butyl 2-[[2-cyano-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]methyl]morpholine-4-carboxylate
MOLECULAR FORMULA: C23H24F2IN3O4
MOLECULAR WEIGHT: 571.355636
SMILES: CC(C)(C)OC(=O)N1CCOC(C1)COC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C#N
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Product OPENEYE NAME: tert-butyl 3-[[2-cyano-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]methyl]pyrrolidine-1-carboxylate
CAS Name: 3-[[2-cyano-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 3-[[2-cyano-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]methyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-[[2-cyano-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]methyl]pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C23H24F2IN3O3
MOLECULAR WEIGHT: 555.356236
SMILES: CC(C)(C)OC(=O)N1CCC(C1)COC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C#N
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Product OPENEYE NAME: 2-cyclopent-3-en-1-yloxy-4-fluoro-6-(2-fluoro-4-iodo-anilino)benzonitrile
CAS Name: 2-(1-cyclopent-3-enyloxy)-4-fluoro-6-(2-fluoro-4-iodoanilino)benzonitrile
IUPAC NAME: 2-cyclopent-3-en-1-yloxy-4-fluoro-6-(2-fluoro-4-iodoanilino)benzonitrile
SYSTEMATIC NAME: 2-cyclopent-3-en-1-yloxy-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzenecarbonitrile
MOLECULAR FORMULA: C18H13F2IN2O
MOLECULAR WEIGHT: 438.209896
SMILES: C1C=CCC1OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C#N
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Product OPENEYE NAME: 4-fluoro-2-(2-fluoro-4-iodo-anilino)-6-(4-methylpent-3-enoxy)benzamide
CAS Name: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(4-methylpent-3-enoxy)benzamide
IUPAC NAME: 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-(4-methylpent-3-enoxy)benzamide
SYSTEMATIC NAME: 4-fluoranyl-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-(4-methylpent-3-enoxy)benzamide
MOLECULAR FORMULA: C19H19F2IN2O2
MOLECULAR WEIGHT: 472.267636
SMILES: CC(=CCCOC1=C(C(=CC(=C1)F)NC2=C(C=C(C=C2)I)F)C(=O)N)C
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Product OPENEYE NAME: tert-butyl 3-[[2-cyano-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]methyl]azetidine-1-carboxylate
CAS Name: 3-[[2-cyano-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]methyl]-1-azetidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 3-[[2-cyano-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]methyl]azetidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-[[2-cyano-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]methyl]azetidine-1-carboxylate
MOLECULAR FORMULA: C22H22F2IN3O3
MOLECULAR WEIGHT: 541.329656
SMILES: CC(C)(C)OC(=O)N1CC(C1)COC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C#N
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Product OPENEYE NAME: tert-butyl 4-[2-cyano-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]piperidine-1-carboxylate
CAS Name: 4-[2-cyano-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]-1-piperidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[2-cyano-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[2-cyano-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]piperidine-1-carboxylate
MOLECULAR FORMULA: C23H24F2IN3O3
MOLECULAR WEIGHT: 555.356236
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C#N
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Product OPENEYE NAME: S-[(4-chlorophenyl)methyl] 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-piperidyl]thiazole-4-carbothioate
CAS Name: 2-[1-[2-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]-4-piperidinyl]-4-thiazolecarbothioic acid S-[(4-chlorophenyl)methyl] ester
IUPAC NAME: S-[(4-chlorophenyl)methyl] 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carbothioate
SYSTEMATIC NAME: S-[(4-chlorophenyl)methyl] 2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoyl]piperidin-4-yl]-1,3-thiazole-4-carbothioate
MOLECULAR FORMULA: C23H22ClF3N4O2S2
MOLECULAR WEIGHT: 543.02459
SMILES: CC1=CC(=NN1CC(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)SCC4=CC=C(C=C4)Cl)C(F)(F)F
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Product OPENEYE NAME: 4-pyridylmethyl 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-piperidyl]thiazole-4-carboxylate
CAS Name: 2-[1-[1-oxo-2-[3-(trifluoromethyl)-1-pyrazolyl]ethyl]-4-piperidinyl]-4-thiazolecarboxylic acid pyridin-4-ylmethyl ester
IUPAC NAME: pyridin-4-ylmethyl 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: pyridin-4-ylmethyl 2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C21H20F3N5O3S
MOLECULAR WEIGHT: 479.47541
SMILES: C1CN(CCC1C2=NC(=CS2)C(=O)OCC3=CC=NC=C3)C(=O)CN4C=CC(=N4)C(F)(F)F
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Product OPENEYE NAME: trimethylsilylmethyl 2-[1-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-piperidyl]thiazole-4-carboxylate
CAS Name: 2-[1-[2-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]-4-piperidinyl]-4-thiazolecarboxylic acid trimethylsilylmethyl ester
IUPAC NAME: trimethylsilylmethyl 2-[1-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: trimethylsilylmethyl 2-[1-[2-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C20H26ClF3N4O3SSi
MOLECULAR WEIGHT: 523.04415
SMILES: CC1=C(C(=NN1CC(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)OC[Si](C)(C)C)C(F)(F)F)Cl
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Product OPENEYE NAME: cyclohexyl 2-[1-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-piperidyl]thiazole-4-carboxylate
CAS Name: 2-[1-[2-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]-4-piperidinyl]-4-thiazolecarboxylic acid cyclohexyl ester
IUPAC NAME: cyclohexyl 2-[1-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: cyclohexyl 2-[1-[2-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C22H26ClF3N4O3S
MOLECULAR WEIGHT: 518.98005
SMILES: CC1=C(C(=NN1CC(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)OC4CCCCC4)C(F)(F)F)Cl
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Product OPENEYE NAME: (4-nitrophenyl)methyl 2-[1-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]-4-piperidyl]thiazole-4-carboxylate
CAS Name: 2-[1-[2-[4-chloro-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]-4-piperidinyl]-4-thiazolecarboxylic acid (4-nitrophenyl)methyl ester
IUPAC NAME: (4-nitrophenyl)methyl 2-[1-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: (4-nitrophenyl)methyl 2-[1-[2-[4-chloranyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C23H21ClF3N5O5S
MOLECULAR WEIGHT: 571.95655
SMILES: CC1=C(C(=NN1CC(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F)Cl
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Product OPENEYE NAME: (2R)-N-[(1S)-2-[(6-amino-3-pyridyl)methylamino]-1-(1-naphthylmethyl)-2-oxo-ethyl]-1-methyl-pyrrolidine-2-carboxamide
CAS Name: (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(1-naphthalenyl)-1-oxopropan-2-yl]-1-methyl-2-pyrrolidinecarboxamide
IUPAC NAME: (2R)-N-[(2S)-1-[(6-aminopyridin-3-yl)methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-1-methylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2R)-N-[(2S)-1-[(6-azanylpyridin-3-yl)methylamino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]-1-methyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C25H29N5O2
MOLECULAR WEIGHT: 431.53006
SMILES: CN1CCC[C@@H]1C(=O)N[C@@H](CC2=CC=CC3=CC=CC=C32)C(=O)NCC4=CN=C(C=C4)N
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Product OPENEYE NAME: (2R)-N-[(1S)-2-[(6-amino-3-pyridyl)methylamino]-1-[(3-chlorophenyl)methyl]-2-oxo-ethyl]-1-methyl-pyrrolidine-2-carboxamide
CAS Name: (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]-1-methyl-2-pyrrolidinecarboxamide
IUPAC NAME: (2R)-N-[(2S)-1-[(6-aminopyridin-3-yl)methylamino]-3-(3-chlorophenyl)-1-oxopropan-2-yl]-1-methylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2R)-N-[(2S)-1-[(6-azanylpyridin-3-yl)methylamino]-3-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]-1-methyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C21H26ClN5O2
MOLECULAR WEIGHT: 415.91644
SMILES: CN1CCC[C@@H]1C(=O)N[C@@H](CC2=CC(=CC=C2)Cl)C(=O)NCC3=CN=C(C=C3)N
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Product OPENEYE NAME: (2R)-N-[(1S)-2-[(6-amino-3-pyridyl)methylamino]-1-[(3,4-difluorophenyl)methyl]-2-oxo-ethyl]-1-methyl-pyrrolidine-2-carboxamide
CAS Name: (2R)-N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-1-methyl-2-pyrrolidinecarboxamide
IUPAC NAME: (2R)-N-[(2S)-1-[(6-aminopyridin-3-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-1-methylpyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2R)-N-[(2S)-1-[(6-azanylpyridin-3-yl)methylamino]-3-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]-1-methyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C21H25F2N5O2
MOLECULAR WEIGHT: 417.452306
SMILES: CN1CCC[C@@H]1C(=O)N[C@@H](CC2=CC(=C(C=C2)F)F)C(=O)NCC3=CN=C(C=C3)N
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