Product OPENEYE NAME: [3-benzyloxy-2-[2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]pent-4-enoylamino]-3-oxo-propyl] 2-benzylhex-5-enoate
CAS Name: 2-(phenylmethyl)-5-hexenoic acid [2-[[2-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-1-oxopent-4-enyl]amino]-3-oxo-3-phenylmethoxypropyl] ester
IUPAC NAME: [2-[2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pent-4-enoylamino]-3-oxo-3-phenylmethoxypropyl] 2-benzylhex-5-enoate
SYSTEMATIC NAME: [2-[2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]pent-4-enoylamino]-3-oxidanylidene-3-phenylmethoxy-propyl] 2-(phenylmethyl)hex-5-enoate
MOLECULAR FORMULA: C35H44N2O7
MOLECULAR WEIGHT: 604.73306
SMILES: C=CCCC(CC1=CC=CC=C1)C(=O)OCC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CC=C)CC(=O)N3CCCC3CO
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Product OPENEYE NAME: [2-[2-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]pent-4-enoylamino]-2-methyl-propyl] hept-6-enoate
CAS Name: 6-heptenoic acid [2-[[2-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-1-oxopent-4-enyl]amino]-2-methylpropyl] ester
IUPAC NAME: [2-[2-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]pent-4-enoylamino]-2-methylpropyl] hept-6-enoate
SYSTEMATIC NAME: [2-[2-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]pent-4-enoylamino]-2-methyl-propyl] hept-6-enoate
MOLECULAR FORMULA: C28H40N2O5
MOLECULAR WEIGHT: 484.6276
SMILES: CC(C)(COC(=O)CCCCC=C)NC(=O)C(CC=C)CC(=O)N1CC2=CC=CC=C2CC1CO
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Product OPENEYE NAME: benzyl N-[6-[2-[(2-hydroxy-1-methyl-ethyl)amino]-2-oxo-ethyl]-2-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate
CAS Name: N-[6-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-2-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[6-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]-2-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[2-methyl-5,12-bis(oxidanylidene)-6-[2-oxidanylidene-2-(1-oxidanylpropan-2-ylamino)ethyl]-1-oxa-4-azacyclododec-8-en-11-yl]carbamate
MOLECULAR FORMULA: C24H33N3O7
MOLECULAR WEIGHT: 475.53472
SMILES: CC1CNC(=O)C(CC=CCC(C(=O)O1)NC(=O)OCC2=CC=CC=C2)CC(=O)NC(C)CO
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H24ClN3O7
MOLECULAR WEIGHT: 622.02326
SMILES: CC1=CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C5=NC6=C(C=C(C=C6)Cl)C(=C5)C(=O)OCC(=O)C7=CC=C(C=C7)[N+](=O)[O-]
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Product OPENEYE NAME: [2-(4-benzyloxyphenyl)-1-methyl-2-oxo-ethyl] 7-chloro-2-[4-(1,3-dioxoisoindolin-2-yl)phenyl]-8-methyl-quinoline-4-carboxylate
CAS Name: 7-chloro-2-[4-(1,3-dioxo-2-isoindolyl)phenyl]-8-methyl-4-quinolinecarboxylic acid [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] ester
IUPAC NAME: [1-oxo-1-(4-phenylmethoxyphenyl)propan-2-yl] 7-chloro-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate
SYSTEMATIC NAME: [1-oxidanylidene-1-(4-phenylmethoxyphenyl)propan-2-yl] 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]-7-chloranyl-8-methyl-quinoline-4-carboxylate
MOLECULAR FORMULA: C41H29ClN2O6
MOLECULAR WEIGHT: 681.13176
SMILES: CC1=C(C=CC2=C1N=C(C=C2C(=O)OC(C)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)N6C(=O)C7=CC=CC=C7C6=O)Cl
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Product OPENEYE NAME: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 1,3-dioxo-2-[4-(p-tolylsulfanyl)phenyl]isoindoline-5-carboxylate
CAS Name: 2-[4-[(4-methylphenyl)thio]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid [1-(4-chlorophenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxylate
SYSTEMATIC NAME: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 2-[4-(4-methylphenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate
MOLECULAR FORMULA: C31H22ClNO5S
MOLECULAR WEIGHT: 556.02808
SMILES: CC1=CC=C(C=C1)SC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)OC(C)C(=O)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: 2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenoxy)phenyl]acetamide
CAS Name: 2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenoxy)phenyl]acetamide
IUPAC NAME: 2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenoxy)phenyl]acetamide
SYSTEMATIC NAME: N-[4-[2,4-bis(chloranyl)phenoxy]phenyl]-2-(4-chlorophenyl)ethanamide
MOLECULAR FORMULA: C20H14Cl3NO2
MOLECULAR WEIGHT: 406.68966
SMILES: C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)Cl)Cl
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Product OPENEYE NAME: 3-(4-methylpyrazol-1-yl)propanoic acid
CAS Name: 3-(4-methyl-1-pyrazolyl)propanoic acid
IUPAC NAME: 3-(4-methylpyrazol-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(4-methylpyrazol-1-yl)propanoic acid
MOLECULAR FORMULA: C7H10N2O2
MOLECULAR WEIGHT: 154.1665
SMILES: CC1=CN(N=C1)CCC(=O)O
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Product OPENEYE NAME: N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CAS Name: N-(3-chlorophenyl)-5-[2-(4-methyl-1-pyrazolyl)ethyl]-1,3,4-thiadiazol-2-amine
IUPAC NAME: N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: N-(3-chlorophenyl)-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C14H14ClN5S
MOLECULAR WEIGHT: 319.81246
SMILES: CC1=CN(N=C1)CCC2=NN=C(S2)NC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CAS Name: 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
IUPAC NAME: 3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SYSTEMATIC NAME: 3-oxidanyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
MOLECULAR FORMULA: C15H11F3N2O2
MOLECULAR WEIGHT: 308.25525
SMILES: C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(C=C3)C(F)(F)F)O
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Product OPENEYE NAME: N-[1-(1-adamantyl)pyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-5-[(2,4-dichlorophenoxy)methyl]-2-furancarboxamide
IUPAC NAME: N-[1-(1-adamantyl)pyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[1-(1-adamantyl)pyrazol-3-yl]-5-[[2,4-bis(chloranyl)phenoxy]methyl]furan-2-carboxamide
MOLECULAR FORMULA: C25H25Cl2N3O3
MOLECULAR WEIGHT: 486.3903
SMILES: C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=O)C5=CC=C(O5)COC6=C(C=C(C=C6)Cl)Cl
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Product OPENEYE NAME: N-[2-[1,3-benzodioxol-5-ylmethyl(2-furylmethyl)amino]-2-oxo-ethyl]-3,4-dichloro-N-isopropyl-benzamide
CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-furanylmethyl)amino]-2-oxoethyl]-3,4-dichloro-N-propan-2-ylbenzamide
IUPAC NAME: N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,4-dichloro-N-propan-2-ylbenzamide
SYSTEMATIC NAME: N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3,4-bis(chloranyl)-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C25H24Cl2N2O5
MOLECULAR WEIGHT: 503.37446
SMILES: CC(C)N(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CO3)C(=O)C4=CC(=C(C=C4)Cl)Cl
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Product OPENEYE NAME: 2-[(2,6-dichlorophenyl)carbamoyl-(2-morpholinoethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(2-furylmethyl)acetamide
CAS Name: 2-[[(2,6-dichloroanilino)-oxomethyl]-[2-(4-morpholinyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]-N-(2-furanylmethyl)acetamide
IUPAC NAME: 2-[(2,6-dichlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[[2,6-bis(chloranyl)phenyl]carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C27H29Cl2FN4O4
MOLECULAR WEIGHT: 563.447963
SMILES: C1COCCN1CCN(CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CO3)C(=O)NC4=C(C=CC=C4Cl)Cl
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)sulfonyl-isobutyl-amino]-N-(2-furylmethyl)acetamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-furanylmethyl)acetamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C25H27ClN2O6S
MOLECULAR WEIGHT: 519.00968
SMILES: CC(C)CN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: [4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CAS Name: [4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
IUPAC NAME: [4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SYSTEMATIC NAME: [4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
MOLECULAR FORMULA: C26H26ClF3N4O
MOLECULAR WEIGHT: 502.95905
SMILES: CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F)CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-(3-ethylphenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide
CAS Name: N-(3-ethylphenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinecarboxamide
IUPAC NAME: N-(3-ethylphenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-(3-ethylphenyl)-4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide
MOLECULAR FORMULA: C27H33N5O2
MOLECULAR WEIGHT: 459.58322
SMILES: CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=C(C=C4)OC)C)C
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Product OPENEYE NAME: [3-[[(4-butoxybenzoyl)-isobutyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(4-butoxyphenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester
IUPAC NAME: [3-[[(4-butoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
SYSTEMATIC NAME: [3-[[(4-butoxyphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
MOLECULAR FORMULA: C29H32F3NO5S
MOLECULAR WEIGHT: 563.62829
SMILES: CCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)CC(C)C
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Product OPENEYE NAME: [3-[[(3-bromophenyl)carbamoyl-isopropyl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(3-bromoanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester
IUPAC NAME: [3-[[(3-bromophenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
SYSTEMATIC NAME: [3-[[(3-bromophenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
MOLECULAR FORMULA: C24H22BrF3N2O4S
MOLECULAR WEIGHT: 571.40669
SMILES: CC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)Br
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Product OPENEYE NAME: [3-[[(3-bromobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] ethanesulfonate
CAS Name: ethanesulfonic acid [3-[[[(3-bromophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester
IUPAC NAME: [3-[[(3-bromobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate
SYSTEMATIC NAME: [3-[[(3-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] ethanesulfonate
MOLECULAR FORMULA: C21H20BrNO5S
MOLECULAR WEIGHT: 478.3562
SMILES: CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC(=CC=C3)Br
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Product OPENEYE NAME: [5-[[2-furylmethyl-(4-methylbenzoyl)amino]methyl]-2-methoxy-phenyl] 4-fluorobenzenesulfonate
CAS Name: 4-fluorobenzenesulfonic acid [5-[[2-furanylmethyl-[(4-methylphenyl)-oxomethyl]amino]methyl]-2-methoxyphenyl] ester
IUPAC NAME: [5-[[furan-2-ylmethyl-(4-methylbenzoyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate
SYSTEMATIC NAME: [5-[[furan-2-ylmethyl-(4-methylphenyl)carbonyl-amino]methyl]-2-methoxy-phenyl] 4-fluoranylbenzenesulfonate
MOLECULAR FORMULA: C27H24FNO6S
MOLECULAR WEIGHT: 509.545963
SMILES: CC1=CC=C(C=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CO4
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Product OPENEYE NAME: [4-[[isopropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [4-[[[oxo-[2-(trifluoromethyl)anilino]methyl]-propan-2-ylamino]methyl]phenyl] ester
IUPAC NAME: [4-[[propan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
SYSTEMATIC NAME: [4-[[propan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
MOLECULAR FORMULA: C25H22F6N2O4S
MOLECULAR WEIGHT: 560.508599
SMILES: CC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3C(F)(F)F
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Product OPENEYE NAME: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-3-fluoro-N-isobutyl-benzamide
CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-fluoro-N-(2-methylpropyl)benzamide
IUPAC NAME: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-fluoro-N-(2-methylpropyl)benzamide
SYSTEMATIC NAME: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-fluoranyl-N-(2-methylpropyl)benzamide
MOLECULAR FORMULA: C26H27FN2O4S
MOLECULAR WEIGHT: 482.566983
SMILES: CC(C)CN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)C4=CC(=CC=C4)F
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Product OPENEYE NAME: N-[2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-N-(2-morpholinoethyl)-2-phenyl-butanamide
CAS Name: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[2-(4-morpholinyl)ethyl]-2-phenylbutanamide
IUPAC NAME: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylbutanamide
SYSTEMATIC NAME: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-morpholin-4-ylethyl)-2-phenyl-butanamide
MOLECULAR FORMULA: C30H36FN3O3S
MOLECULAR WEIGHT: 537.688543
SMILES: CCC(C1=CC=CC=C1)C(=O)N(CCN2CCOCC2)CC(=O)N(CC3=CC=C(C=C3)F)CC4=CC=CS4
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