Product OPENEYE NAME: ethyl 2-[[3-[3-[4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]acetate
CAS Name: 2-[[[[3-[3-[4-(1-benzimidazolylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-oxomethyl]amino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[3-[3-[4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]acetate
SYSTEMATIC NAME: ethyl 2-[[3-[3-[4-(benzimidazol-1-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylcarbamoylamino]ethanoate
MOLECULAR FORMULA: C37H38N4O6
MOLECULAR WEIGHT: 634.72082
SMILES: CCOC(=O)CNC(=O)NCC1=CC=CC(=C1)C2=CC(=CC=C2)C3OC(CC(O3)C4=CC=C(C=C4)CO)CN5C=NC6=CC=CC=C65
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Product OPENEYE NAME: 1-[[3-[4-[4-[(4,5-dichloroimidazol-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-ethyl-urea
CAS Name: 1-[[3-[4-[4-[(4,5-dichloro-1-imidazolyl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-ethylurea
IUPAC NAME: 1-[[3-[4-[4-[(4,5-dichloroimidazol-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-ethylurea
SYSTEMATIC NAME: 1-[[3-[4-[4-[[4,5-bis(chloranyl)imidazol-1-yl]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]-3-ethyl-urea
MOLECULAR FORMULA: C31H32Cl2N4O4
MOLECULAR WEIGHT: 595.51618
SMILES: CCNC(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)C3OC(CC(O3)C4=CC=C(C=C4)CO)CN5C=NC(=C5Cl)Cl
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Product OPENEYE NAME: 2-[[6-[4-(hydroxymethyl)phenyl]-2-[3-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
CAS Name: 2-[[6-[4-(hydroxymethyl)phenyl]-2-[3-[[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]amino]phenyl]-1,3-dioxan-4-yl]methylthio]benzoic acid
IUPAC NAME: 2-[[6-[4-(hydroxymethyl)phenyl]-2-[3-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
SYSTEMATIC NAME: 2-[[6-[4-(hydroxymethyl)phenyl]-2-[3-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]carbonylamino]phenyl]-1,3-dioxan-4-yl]methylsulfanyl]benzoic acid
MOLECULAR FORMULA: C32H24F5NO6S
MOLECULAR WEIGHT: 645.593076
SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CSC5=CC=CC=C5C(=O)O
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Product OPENEYE NAME: N-[4-[4-(4-acetamidophenoxy)butoxy]phenyl]acetamide
CAS Name: N-[4-[4-(4-acetamidophenoxy)butoxy]phenyl]acetamide
IUPAC NAME: N-[4-[4-(4-acetamidophenoxy)butoxy]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[4-(4-acetamidophenoxy)butoxy]phenyl]ethanamide
MOLECULAR FORMULA: C20H24N2O4
MOLECULAR WEIGHT: 356.41556
SMILES: CC(=O)NC1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)NC(=O)C
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Product OPENEYE NAME: 8-quinolyl N-(2-chlorophenyl)carbamate
CAS Name: N-(2-chlorophenyl)carbamic acid 8-quinolinyl ester
IUPAC NAME: quinolin-8-yl N-(2-chlorophenyl)carbamate
SYSTEMATIC NAME: quinolin-8-yl N-(2-chlorophenyl)carbamate
MOLECULAR FORMULA: C16H11ClN2O2
MOLECULAR WEIGHT: 298.72374
SMILES: C1=CC=C(C(=C1)NC(=O)OC2=CC=CC3=C2N=CC=C3)Cl
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Product OPENEYE NAME: 3-(2-methyl-4-nitro-phenyl)-1,1-dipropyl-urea
CAS Name: 3-(2-methyl-4-nitrophenyl)-1,1-dipropylurea
IUPAC NAME: 3-(2-methyl-4-nitrophenyl)-1,1-dipropylurea
SYSTEMATIC NAME: 3-(2-methyl-4-nitro-phenyl)-1,1-dipropyl-urea
MOLECULAR FORMULA: C14H21N3O3
MOLECULAR WEIGHT: 279.33484
SMILES: CCCN(CCC)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C
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Product OPENEYE NAME: 1-benzyl-3-(p-tolyl)urea
CAS Name: 1-(4-methylphenyl)-3-(phenylmethyl)urea
IUPAC NAME: 1-benzyl-3-(4-methylphenyl)urea
SYSTEMATIC NAME: 1-(4-methylphenyl)-3-(phenylmethyl)urea
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: CC1=CC=C(C=C1)NC(=O)NCC2=CC=CC=C2
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Product OPENEYE NAME: N-(dibutoxyphosphorylmethyl)-N-ethyl-ethanamine
CAS Name: N-(dibutoxyphosphorylmethyl)-N-ethylethanamine
IUPAC NAME: N-(dibutoxyphosphorylmethyl)-N-ethylethanamine
SYSTEMATIC NAME: N-(dibutoxyphosphorylmethyl)-N-ethyl-ethanamine
MOLECULAR FORMULA: C13H30NO3P
MOLECULAR WEIGHT: 279.355961
SMILES: CCCCOP(=O)(CN(CC)CC)OCCCC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H17ClN2O3
MOLECULAR WEIGHT: 452.88848
SMILES: C1CC2=CC=C3C4=C(C=CC1=C24)C(=O)N(C3=O)C5=CC=CC(=C5)C(=O)NC6=CC(=CC=C6)Cl
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Product OPENEYE NAME: N-(5-ethyl-1,3,4-thiadiazol-2-yl)heptanamide
CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)heptanamide
IUPAC NAME: N-(5-ethyl-1,3,4-thiadiazol-2-yl)heptanamide
SYSTEMATIC NAME: N-(5-ethyl-1,3,4-thiadiazol-2-yl)heptanamide
MOLECULAR FORMULA: C11H19N3OS
MOLECULAR WEIGHT: 241.35306
SMILES: CCCCCCC(=O)NC1=NN=C(S1)CC
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Product OPENEYE NAME: 3-chloro-4-(2-ethyl-1-piperidyl)-1-(1-naphthyl)pyrrole-2,5-dione
CAS Name: 3-chloro-4-(2-ethyl-1-piperidinyl)-1-(1-naphthalenyl)pyrrole-2,5-dione
IUPAC NAME: 3-chloro-4-(2-ethylpiperidin-1-yl)-1-naphthalen-1-ylpyrrole-2,5-dione
SYSTEMATIC NAME: 3-chloranyl-4-(2-ethylpiperidin-1-yl)-1-naphthalen-1-yl-pyrrole-2,5-dione
MOLECULAR FORMULA: C21H21ClN2O2
MOLECULAR WEIGHT: 368.85664
SMILES: CCC1CCCCN1C2=C(C(=O)N(C2=O)C3=CC=CC4=CC=CC=C43)Cl
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Product OPENEYE NAME: N-[(4-methoxyphenyl)methyl]-1-oxo-isochromene-4-carboxamide
CAS Name: N-[(4-methoxyphenyl)methyl]-1-oxo-2-benzopyran-4-carboxamide
IUPAC NAME: N-[(4-methoxyphenyl)methyl]-1-oxoisochromene-4-carboxamide
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methyl]-1-oxidanylidene-isochromene-4-carboxamide
MOLECULAR FORMULA: C18H15NO4
MOLECULAR WEIGHT: 309.316
SMILES: COC1=CC=C(C=C1)CNC(=O)C2=COC(=O)C3=CC=CC=C32
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Product OPENEYE NAME: 3-(3,4-difluorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
CAS Name: 3-(3,4-difluorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
IUPAC NAME: 3-(3,4-difluorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
SYSTEMATIC NAME: 3-[3,4-bis(fluoranyl)phenyl]-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate
MOLECULAR FORMULA: C17H12F2NO3-
MOLECULAR WEIGHT: 316.278886
SMILES: CN1C(C(C2=CC=CC=C2C1=O)C(=O)[O-])C3=CC(=C(C=C3)F)F
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Product OPENEYE NAME: 3-(3,4-difluorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CAS Name: 3-(3,4-difluorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
IUPAC NAME: 3-(3,4-difluorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
SYSTEMATIC NAME: 3-[3,4-bis(fluoranyl)phenyl]-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid
MOLECULAR FORMULA: C17H13F2NO3
MOLECULAR WEIGHT: 317.286826
SMILES: CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC(=C(C=C3)F)F
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Product OPENEYE NAME: 1-phenyl-2-(trifluoromethyl)chromeno[3,4-d]imidazol-4-one
CAS Name: 1-phenyl-2-(trifluoromethyl)-4-[1]benzopyrano[3,4-d]imidazolone
IUPAC NAME: 1-phenyl-2-(trifluoromethyl)chromeno[3,4-d]imidazol-4-one
SYSTEMATIC NAME: 1-phenyl-2-(trifluoromethyl)chromeno[3,4-d]imidazol-4-one
MOLECULAR FORMULA: C17H9F3N2O2
MOLECULAR WEIGHT: 330.26077
SMILES: C1=CC=C(C=C1)N2C3=C(C(=O)OC4=CC=CC=C43)N=C2C(F)(F)F
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Product OPENEYE NAME: 4-[[4-methyl-2-(1-piperidyl)-6-quinolyl]amino]-4-oxo-butanoate
CAS Name: 4-[[4-methyl-2-(1-piperidinyl)-6-quinolinyl]amino]-4-oxobutanoate
IUPAC NAME: 4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoate
SYSTEMATIC NAME: 4-[(4-methyl-2-piperidin-1-yl-quinolin-6-yl)amino]-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C19H22N3O3-
MOLECULAR WEIGHT: 340.39628
SMILES: CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)[O-])N3CCCCC3
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Product OPENEYE NAME: 4-[[4-methyl-2-(1-piperidyl)-6-quinolyl]amino]-4-oxo-butanoic acid
CAS Name: 4-[[4-methyl-2-(1-piperidinyl)-6-quinolinyl]amino]-4-oxobutanoic acid
IUPAC NAME: 4-[(4-methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(4-methyl-2-piperidin-1-yl-quinolin-6-yl)amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C19H23N3O3
MOLECULAR WEIGHT: 341.40422
SMILES: CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)O)N3CCCCC3
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Product OPENEYE NAME: ethyl 4-[[[2-[benzyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl]-isobutyl-carbamoyl]amino]benzoate
CAS Name: 4-[[[[2-[(5-methyl-2-furanyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-oxomethyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[[2-[(5-methylfuran-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-(2-methylpropyl)carbamoyl]amino]benzoate
MOLECULAR FORMULA: C29H35N3O5
MOLECULAR WEIGHT: 505.6053
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC(C)C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=C(O3)C
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Product OPENEYE NAME: N-benzyl-2-[isopropyl(1-naphthylsulfonyl)amino]-N-[(5-methyl-2-furyl)methyl]acetamide
CAS Name: N-[(5-methyl-2-furanyl)methyl]-2-[1-naphthalenylsulfonyl(propan-2-yl)amino]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
SYSTEMATIC NAME: N-[(5-methylfuran-2-yl)methyl]-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C28H30N2O4S
MOLECULAR WEIGHT: 490.6138
SMILES: CC1=CC=C(O1)CN(CC2=CC=CC=C2)C(=O)CN(C(C)C)S(=O)(=O)C3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: N-[3-benzyl-5-[2-(4-fluoroanilino)-2-oxo-ethyl]-4-oxo-2-thioxo-imidazolidin-1-yl]-4-chloro-benzamide
CAS Name: 4-chloro-N-[5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1-imidazolidinyl]benzamide
IUPAC NAME: N-[3-benzyl-5-[2-(4-fluoroanilino)-2-oxoethyl]-4-oxo-2-sulfanylideneimidazolidin-1-yl]-4-chlorobenzamide
SYSTEMATIC NAME: 4-chloranyl-N-[5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-imidazolidin-1-yl]benzamide
MOLECULAR FORMULA: C25H20ClFN4O3S
MOLECULAR WEIGHT: 510.967703
SMILES: C1=CC=C(C=C1)CN2C(=O)C(N(C2=S)NC(=O)C3=CC=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: N-(4-ethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CAS Name: N-(4-ethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
IUPAC NAME: N-(4-ethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SYSTEMATIC NAME: N-(4-ethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-phenylimino-1,3-thiazinane-6-carboxamide
MOLECULAR FORMULA: C27H27N3O4S
MOLECULAR WEIGHT: 489.58598
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC=C(C=C4)OC
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