CAS RN: 5912-84-5
CAS Name: 4-fluorobenzenesulfonic acid [4-[[(4-fluorophenyl)methyl-(1-oxo-2-phenoxyethyl)amino]methyl]phenyl] ester
OPENEYE Name: [4-[[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
IUPAC Name: [4-[[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
SYSTEMATIC NAME: [4-[[(4-fluorophenyl)methyl-(2-phenoxyethanoyl)amino]methyl]phenyl] 4-fluoranylbenzenesulfonate
MOLECULAR FORMULA: C28H23F2NO5S
MOLECULAR WEIGHT: 523.547726
SMILES: C1=CC=C(C=C1)OCC(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)F
Structure:
CAS RN: 5912-23-2
CAS Name: N,N-diethyl-2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
OPENEYE Name: N,N-diethyl-2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
IUPAC Name: N,N-diethyl-2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
SYSTEMATIC NAME: N,N-diethyl-2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]ethanamide
MOLECULAR FORMULA: C21H22FN3O2S
MOLECULAR WEIGHT: 399.481683
SMILES: CCN(CC)C(=O)CC1=CC=C(C=C1)OC2=NC(=NS2)CC3=CC=C(C=C3)F
Structure:
CAS RN: 5908-55-4
CAS Name: N-[2-[2-furanylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-[2-(4-morpholinyl)ethyl]-1-adamantanecarboxamide
OPENEYE Name: N-[2-[2-furylmethyl(2-phenylethyl)amino]-2-oxo-ethyl]-N-(2-morpholinoethyl)adamantane-1-carboxamide
IUPAC Name: N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
SYSTEMATIC NAME: N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxidanylidene-ethyl]-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
MOLECULAR FORMULA: C32H43N3O4
MOLECULAR WEIGHT: 533.70152
SMILES: C1COCCN1CCN(CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CO3)C(=O)C45CC6CC(C4)CC(C6)C5
Structure:
CAS RN: 5320-99-0
CAS Name: N-[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]-3-nitro-4-(1-piperidinyl)benzamide
OPENEYE Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide
IUPAC Name: N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide
SYSTEMATIC NAME: N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide
MOLECULAR FORMULA: C28H29ClN6O3
MOLECULAR WEIGHT: 533.02126
SMILES: CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]
Structure:
CAS RN: 5921-02-8
CAS Name: N-[2-[(4-fluorophenyl)methyl-[(5-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
OPENEYE Name: N-[2-[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-3-phenyl-N-propyl-propanamide
IUPAC Name: N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
SYSTEMATIC NAME: N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-phenyl-N-propyl-propanamide
MOLECULAR FORMULA: C27H31FN2O2S
MOLECULAR WEIGHT: 466.610643
SMILES: CCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=C(S2)C)C(=O)CCC3=CC=CC=C3
Structure:
CAS RN: 5919-80-2
CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methyl-2-thiophenyl)methyl]-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
OPENEYE Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methyl-2-thienyl)methyl]-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]acetamide
IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]ethanamide
MOLECULAR FORMULA: C28H33F3N2O5S2
MOLECULAR WEIGHT: 598.69723
SMILES: CCCN(CC(=O)N(CCC1=CC(=C(C=C1)OC)OC)CC2=CC=C(S2)C)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F
Structure:
CAS RN: 6653-72-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H60N4O12
MOLECULAR WEIGHT: 692.8384
SMILES: C1CN2CCOCCOCCOCCOCCOCCN3CCCN(C3=O)CCOCCOCCOCCOCCOCCN(C1)C2=O
Structure:
CAS RN: 5713-82-6
CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester
OPENEYE Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SYSTEMATIC NAME: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]ethanoate
MOLECULAR FORMULA: C21H21NO7S
MOLECULAR WEIGHT: 431.45894
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)C
Structure:
CAS RN: 5713-21-3
CAS Name: 2-cyano-3-(3-ethoxy-4-methoxyphenyl)-N-(2-thiazolyl)-2-propenamide
OPENEYE Name: 2-cyano-3-(3-ethoxy-4-methoxy-phenyl)-N-thiazol-2-yl-prop-2-enamide
IUPAC Name: 2-cyano-3-(3-ethoxy-4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SYSTEMATIC NAME: 2-cyano-3-(3-ethoxy-4-methoxy-phenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
MOLECULAR FORMULA: C16H15N3O3S
MOLECULAR WEIGHT: 329.3736
SMILES: CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NC=CS2)OC
Structure:
CAS RN: 5734-05-4
CAS Name: 3,5-difluorobenzoic acid [2-(carbamoylamino)-2-oxoethyl] ester
OPENEYE Name: (2-oxo-2-ureido-ethyl) 3,5-difluorobenzoate
IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 3,5-difluorobenzoate
SYSTEMATIC NAME: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate
MOLECULAR FORMULA: C10H8F2N2O4
MOLECULAR WEIGHT: 258.178326
SMILES: C1=C(C=C(C=C1F)F)C(=O)OCC(=O)NC(=O)N
Structure:
CAS RN: 6616-22-4
CAS Name: 2-(4-methylphenyl)sulfonyl-3-[1-phenyl-3-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrazolyl]-2-propenenitrile
OPENEYE Name: 3-[1-phenyl-3-[4-(1-piperidylsulfonyl)phenyl]pyrazol-4-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile
IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile
SYSTEMATIC NAME: 2-(4-methylphenyl)sulfonyl-3-[1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)pyrazol-4-yl]prop-2-enenitrile
MOLECULAR FORMULA: C30H28N4O4S2
MOLECULAR WEIGHT: 572.69772
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C5=CC=CC=C5)C#N
Structure:
CAS RN: 5899-97-8
CAS Name: 2-[[4-chloro-6-[4-(3,3-dimethyl-1-oxobutyl)-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N,N-diethylacetamide
OPENEYE Name: 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethyl-acetamide
IUPAC Name: 2-[4-chloro-6-[4-(3,3-dimethylbutanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide
SYSTEMATIC NAME: 2-[4-chloranyl-6-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethyl-ethanamide
MOLECULAR FORMULA: C21H34ClN5O2S
MOLECULAR WEIGHT: 456.04496
SMILES: CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)CC(C)(C)C
Structure:
CAS RN: 5899-36-5
CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[oxo-(4-pentylphenyl)methyl]amino]-N-(3-pyridinylmethyl)benzamide
OPENEYE Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylbenzoyl)amino]-N-(3-pyridylmethyl)benzamide
IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylbenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
SYSTEMATIC NAME: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(4-pentylphenyl)carbonylamino]-N-(pyridin-3-ylmethyl)benzamide
MOLECULAR FORMULA: C34H36N4O2
MOLECULAR WEIGHT: 532.67524
SMILES: CCCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5
Structure:
CAS RN: 5370-31-0
CAS Name: N-(2,4-dimethylphenyl)-2-[4-methyl-5-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetamide
OPENEYE Name: N-(2,4-dimethylphenyl)-2-[4-methyl-5-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
IUPAC Name: N-(2,4-dimethylphenyl)-2-[4-methyl-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
SYSTEMATIC NAME: N-(2,4-dimethylphenyl)-2-[4-methyl-5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanamide
MOLECULAR FORMULA: C22H25N5O2S
MOLECULAR WEIGHT: 423.5312
SMILES: CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=C(C=C(C=C3)C)C
Structure:
CAS RN: 5828-75-1
CAS Name: N-(3,4-dichlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxo-3-pyrrolidinecarboxamide
OPENEYE Name: N-(3,4-dichlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxo-pyrrolidine-3-carboxamide
IUPAC Name: N-(3,4-dichlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C23H18Cl2N2O2
MOLECULAR WEIGHT: 425.30722
SMILES: C1CC2=CC=CC3=C(C=CC1=C23)N4CC(CC4=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl
Structure:
CAS RN: 5826-29-9
CAS Name: 4-[[3-chloro-4-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-5-methoxyphenyl]methylidene]-2-phenyl-5-oxazolone
OPENEYE Name: 4-[[3-chloro-4-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-5-methoxy-phenyl]methylene]-2-phenyl-oxazol-5-one
IUPAC Name: 4-[[3-chloro-4-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-5-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-[[3-chloranyl-4-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-5-methoxy-phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C29H28ClNO6
MOLECULAR WEIGHT: 521.98872
SMILES: CC1=C(C=C(C=C1)OCCOCCOC2=C(C=C(C=C2Cl)C=C3C(=O)OC(=N3)C4=CC=CC=C4)OC)C
Structure:
CAS RN: 5136-86-7
CAS Name: 1-[(2,4-dichlorophenyl)-(5-methyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid
OPENEYE Name: 1-[(2,4-dichlorophenyl)-(5-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid
IUPAC Name: 1-[(2,4-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(2,4-dichlorophenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
MOLECULAR FORMULA: C18H19Cl2NO2S
MOLECULAR WEIGHT: 384.31996
SMILES: CC1=CC=C(S1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCCC3C(=O)O
Structure:
CAS RN: 6475-75-8
CAS Name: 1-(2-thiophen-2-ylcyclopropyl)ethanone
OPENEYE Name: 1-[2-(2-thienyl)cyclopropyl]ethanone
IUPAC Name: 1-(2-thiophen-2-ylcyclopropyl)ethanone
SYSTEMATIC NAME: 1-(2-thiophen-2-ylcyclopropyl)ethanone
MOLECULAR FORMULA: C9H10OS
MOLECULAR WEIGHT: 166.2401
SMILES: CC(=O)C1CC1C2=CC=CS2
Structure:
CAS RN: 5642-88-6
CAS Name: N-(2,5-dimethylphenyl)-4-phenyl-2-thiazolamine
OPENEYE Name: N-(2,5-dimethylphenyl)-4-phenyl-thiazol-2-amine
IUPAC Name: N-(2,5-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: N-(2,5-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C17H16N2S
MOLECULAR WEIGHT: 280.38734
SMILES: CC1=CC(=C(C=C1)C)NC2=NC(=CS2)C3=CC=CC=C3
Structure:
CAS RN: 5642-27-3
CAS Name: 3-(4-nitrophenoxy)-1-phenyl-1-propanone
OPENEYE Name: 3-(4-nitrophenoxy)-1-phenyl-propan-1-one
IUPAC Name: 3-(4-nitrophenoxy)-1-phenylpropan-1-one
SYSTEMATIC NAME: 3-(4-nitrophenoxy)-1-phenyl-propan-1-one
MOLECULAR FORMULA: C15H13NO4
MOLECULAR WEIGHT: 271.26802
SMILES: C1=CC=C(C=C1)C(=O)CCOC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 5638-59-5
CAS Name: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-chlorobenzamide
OPENEYE Name: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-chloro-benzamide
IUPAC Name: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-chlorobenzamide
SYSTEMATIC NAME: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-2-chloranyl-benzamide
MOLECULAR FORMULA: C20H12BrClN2O2
MOLECULAR WEIGHT: 427.67848
SMILES: C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CC=C4Cl)Br
Structure:
CAS RN: 5635-53-0
CAS Name: 2-(2,4-dichlorophenoxy)acetic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester
OPENEYE Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(2,4-dichlorophenoxy)acetate
IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(2,4-dichlorophenoxy)acetate
SYSTEMATIC NAME: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-[2,4-bis(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C22H14Cl2O5
MOLECULAR WEIGHT: 429.24956
SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)COC4=C(C=C(C=C4)Cl)Cl
Structure:
CAS RN: 5627-53-2
CAS Name: N-[6-[[cyclohexyl(oxo)methyl]amino]-2-pyridinyl]cyclohexanecarboxamide
OPENEYE Name: N-[6-(cyclohexanecarbonylamino)-2-pyridyl]cyclohexanecarboxamide
IUPAC Name: N-[6-(cyclohexanecarbonylamino)pyridin-2-yl]cyclohexanecarboxamide
SYSTEMATIC NAME: N-[6-(cyclohexylcarbonylamino)pyridin-2-yl]cyclohexanecarboxamide
MOLECULAR FORMULA: C19H27N3O2
MOLECULAR WEIGHT: 329.43658
SMILES: C1CCC(CC1)C(=O)NC2=NC(=CC=C2)NC(=O)C3CCCCC3
Structure:
CAS RN: 5622-62-8
CAS Name: 4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-5-oxazolone
OPENEYE Name: 4-[(3-fluorophenyl)methylene]-2-(2-nitrophenyl)oxazol-5-one
IUPAC Name: 4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-[(3-fluorophenyl)methylidene]-2-(2-nitrophenyl)-1,3-oxazol-5-one
MOLECULAR FORMULA: C16H9FN2O4
MOLECULAR WEIGHT: 312.252063
SMILES: C1=CC=C(C(=C1)C2=NC(=CC3=CC(=CC=C3)F)C(=O)O2)[N+](=O)[O-]
Structure:
CAS RN: 5507-90-4
CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-ethylamino]-2-oxoethyl] ester
OPENEYE Name: [2-[(1,1-dioxothiolan-3-yl)-ethyl-amino]-2-oxo-ethyl] 3-hydroxynaphthalene-2-carboxylate
IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SYSTEMATIC NAME: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-oxidanylnaphthalene-2-carboxylate
MOLECULAR FORMULA: C19H21NO6S
MOLECULAR WEIGHT: 391.43814
SMILES: CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O
Structure:
CAS RN: 5320-97-8
CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
OPENEYE Name: 3-methyl-N-quinuclidin-3-yl-benzamide
IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
SYSTEMATIC NAME: N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-benzamide
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: CC1=CC=CC(=C1)C(=O)NC2CN3CCC2CC3
Structure:
CAS RN: 6528-62-7
CAS Name: 1-fluoro-4-[[2-[2-[(4-fluorophenyl)methylthio]ethoxy]ethylthio]methyl]benzene
OPENEYE Name: 1-fluoro-4-[2-[2-[(4-fluorophenyl)methylsulfanyl]ethoxy]ethylsulfanylmethyl]benzene
IUPAC Name: 1-fluoro-4-[2-[2-[(4-fluorophenyl)methylsulfanyl]ethoxy]ethylsulfanylmethyl]benzene
SYSTEMATIC NAME: 1-fluoranyl-4-[2-[2-[(4-fluorophenyl)methylsulfanyl]ethoxy]ethylsulfanylmethyl]benzene
MOLECULAR FORMULA: C18H20F2OS2
MOLECULAR WEIGHT: 354.477606
SMILES: C1=CC(=CC=C1CSCCOCCSCC2=CC=C(C=C2)F)F
Structure:
CAS RN: 6528-01-4
CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-phenylurea
OPENEYE Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-urea
IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-phenylurea
SYSTEMATIC NAME: 1-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-urea
MOLECULAR FORMULA: C15H10F6N2O
MOLECULAR WEIGHT: 348.243119
SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 6103-13-5
CAS Name: 4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)-5-[1-oxopent-2-enyl(2,2,2-trifluoroethyl)amino]-1-cyclohexenecarboxamide
OPENEYE Name: 4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)-5-[pent-2-enoyl(2,2,2-trifluoroethyl)amino]cyclohexene-1-carboxamide
IUPAC Name: 4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)-5-[pent-2-enoyl(2,2,2-trifluoroethyl)amino]cyclohexene-1-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-3-(2-iodanylphenoxy)-4-oxidanyl-5-[pent-2-enoyl-[2,2,2-tris(fluoranyl)ethyl]amino]cyclohexene-1-carboxamide
MOLECULAR FORMULA: C22H26F3IN2O5
MOLECULAR WEIGHT: 582.35192
SMILES: CCC=CC(=O)N(CC(F)(F)F)C1CC(=CC(C1O)OC2=CC=CC=C2I)C(=O)NCCO
Structure:
CAS RN: 6075-70-3
CAS Name: 8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methyl-3-pyrazolyl]-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-6a-methyl-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-2-carboxamide
OPENEYE Name: 8-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-[2-(4-hydroxy-3,5-dimethoxy-phenyl)vinyl]-6a-methyl-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-2-carboxamide
IUPAC Name: 8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-6a-methyl-1,3,7,9-tetraoxo-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-2-carboxamide
SYSTEMATIC NAME: 8-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)ethenyl]-6a-methyl-1,3,7,9-tetrakis(oxidanylidene)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-2-carboxamide
MOLECULAR FORMULA: C39H36ClN5O8S
MOLECULAR WEIGHT: 770.24984
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C5CC6C7C(CC=C6C(C5(C4=O)C)C=CC8=CC(=C(C(=C8)OC)O)OC)C(=O)N(C7=O)C(=O)N)C
Structure:
CAS RN: 5682-55-3
CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(2,5-difluoroanilino)-2-oxoethyl] ester
OPENEYE Name: [2-(2,5-difluoroanilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate
IUPAC Name: [2-(2,5-difluoroanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [2-[[2,5-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C17H15F2NO3S
MOLECULAR WEIGHT: 351.367706
SMILES: C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=C(C=CC(=C3)F)F
Structure:
CAS RN: 6062-78-8
CAS Name: 6a,9a-dichloro-8-(4-fluorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-2-[4-(4-morpholinyl)phenyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 6a,9a-dichloro-8-(4-fluorophenyl)-6-(4-hydroxy-3-methoxy-phenyl)-2-(4-morpholinophenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 6a,9a-dichloro-8-(4-fluorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-2-(4-morpholin-4-ylphenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-8-(4-fluorophenyl)-6-(3-methoxy-4-oxidanyl-phenyl)-2-(4-morpholin-4-ylphenyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C37H32Cl2FN3O7
MOLECULAR WEIGHT: 720.570283
SMILES: COC1=C(C=CC(=C1)C2C3=CCC4C(C3CC5(C2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)N8CCOCC8)O
Structure:
CAS RN: 6058-49-7
CAS Name: 4-[6a,9a-dichloro-6-(3-fluoro-2-hydroxyphenyl)-8-methyl-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]-2-hydroxybenzoic acid
OPENEYE Name: 4-[6a,9a-dichloro-6-(3-fluoro-2-hydroxy-phenyl)-8-methyl-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]-2-hydroxy-benzoic acid
IUPAC Name: 4-[6a,9a-dichloro-6-(3-fluoro-2-hydroxyphenyl)-8-methyl-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]-2-hydroxybenzoic acid
SYSTEMATIC NAME: 4-[6a,9a-bis(chloranyl)-6-(3-fluoranyl-2-oxidanyl-phenyl)-8-methyl-1,3,7,9-tetrakis(oxidanylidene)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C28H21Cl2FN2O8
MOLECULAR WEIGHT: 603.379343
SMILES: CN1C(=O)C2(CC3C4C(CC=C3C(C2(C1=O)Cl)C5=C(C(=CC=C5)F)O)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O)Cl
Structure:
CAS RN: 6517-60-8
CAS Name: N'-(3-chlorophenyl)-N-[[5-[3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]-2-furanyl]methyl]oxamide
OPENEYE Name: N'-(3-chlorophenyl)-N-[[5-[3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxo-prop-1-enyl]-2-furyl]methyl]oxamide
IUPAC Name: N'-(3-chlorophenyl)-N-[[5-[3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]methyl]oxamide
SYSTEMATIC NAME: N'-(3-chlorophenyl)-N-[[5-[3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]methyl]ethanediamide
MOLECULAR FORMULA: C24H18Cl2N4O4
MOLECULAR WEIGHT: 497.33012
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)C(=O)NCC2=CC=C(O2)C=C(C#N)C(=O)NCC3=CC=C(C=C3)Cl
Structure:
CAS RN: 6475-74-7
CAS Name: 4-[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]-N-(3-furanylmethyl)-1H-pyrrole-2-carboxamide
OPENEYE Name: 4-[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]-N-(3-furylmethyl)-1H-pyrrole-2-carboxamide
IUPAC Name: 4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(furan-3-ylmethyl)-1H-pyrrole-2-carboxamide
SYSTEMATIC NAME: 4-[[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]carbonyl]-N-(furan-3-ylmethyl)-1H-pyrrole-2-carboxamide
MOLECULAR FORMULA: C21H15Cl2N3O4
MOLECULAR WEIGHT: 444.2675
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)C3=CNC(=C3)C(=O)NCC4=COC=C4
Structure:
CAS RN: 5727-92-4
CAS Name: 2-[3-[[[2-[N-(benzenesulfonyl)-4-methylanilino]-1-oxoethyl]hydrazinylidene]methyl]phenoxy]acetic acid methyl ester
OPENEYE Name: methyl 2-[3-[[[2-[N-(benzenesulfonyl)-4-methyl-anilino]acetyl]hydrazono]methyl]phenoxy]acetate
IUPAC Name: methyl 2-[3-[[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
SYSTEMATIC NAME: methyl 2-[3-[[2-[(4-methylphenyl)-(phenylsulfonyl)amino]ethanoylhydrazinylidene]methyl]phenoxy]ethanoate
MOLECULAR FORMULA: C25H25N3O6S
MOLECULAR WEIGHT: 495.5475
SMILES: CC1=CC=C(C=C1)N(CC(=O)NN=CC2=CC(=CC=C2)OCC(=O)OC)S(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 6259-52-5
CAS Name: N-[(1,2-dimethyl-5-indolyl)methyl]-2-(4-nitrophenyl)acetamide
OPENEYE Name: N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-nitrophenyl)acetamide
IUPAC Name: N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-nitrophenyl)acetamide
SYSTEMATIC NAME: N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-nitrophenyl)ethanamide
MOLECULAR FORMULA: C19H19N3O3
MOLECULAR WEIGHT: 337.37246
SMILES: CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 6767-30-2
CAS Name: 2,3-dimethyl-5-[4-phenyl-5-(2-phenylethylthio)-1,2,4-triazol-3-yl]-1H-indole
OPENEYE Name: 2,3-dimethyl-5-[4-phenyl-5-(2-phenylethylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole
IUPAC Name: 2,3-dimethyl-5-[4-phenyl-5-(2-phenylethylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole
SYSTEMATIC NAME: 2,3-dimethyl-5-[4-phenyl-5-(2-phenylethylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole
MOLECULAR FORMULA: C26H24N4S
MOLECULAR WEIGHT: 424.56056
SMILES: CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCCC5=CC=CC=C5)C
Structure:
CAS RN: 6007-51-8
CAS Name: 3-cyclopentyl-N-(3-methylbutyl)-N-[2-[(5-methyl-2-thiazolyl)amino]-2-oxoethyl]propanamide
OPENEYE Name: 3-cyclopentyl-N-isopentyl-N-[2-[(5-methylthiazol-2-yl)amino]-2-oxo-ethyl]propanamide
IUPAC Name: 3-cyclopentyl-N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
SYSTEMATIC NAME: 3-cyclopentyl-N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]propanamide
MOLECULAR FORMULA: C19H31N3O2S
MOLECULAR WEIGHT: 365.53334
SMILES: CC1=CN=C(S1)NC(=O)CN(CCC(C)C)C(=O)CCC2CCCC2
Structure:
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