CAS RN: 5706-67-2
CAS Name: [2-(3,4-dichlorophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-(2-methyl-4-phenylmethoxyphenyl)methanolate
OPENEYE Name: (4-benzyloxy-2-methyl-phenyl)-[2-(3,4-dichlorophenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]methanolate
IUPAC Name: [2-(3,4-dichlorophenyl)-1-[2-(diethylazaniumyl)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-(2-methyl-4-phenylmethoxyphenyl)methanolate
SYSTEMATIC NAME: [2-(3,4-dichlorophenyl)-1-[2-(diethylazaniumyl)ethyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(2-methyl-4-phenylmethoxy-phenyl)methanolate
MOLECULAR FORMULA: C31H32Cl2N2O4
MOLECULAR WEIGHT: 567.50278
SMILES: CC[NH+](CC)CCN1C(C(=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C)[O-])C(=O)C1=O)C4=CC(=C(C=C4)Cl)Cl
Structure:
CAS RN: 5967-21-5
CAS Name: N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-4-piperidinyl]methyl]hexanamide
OPENEYE Name: N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-4-piperidyl]methyl]hexanamide
IUPAC Name: N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]hexanamide
SYSTEMATIC NAME: N-[[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]hexanamide
MOLECULAR FORMULA: C21H29ClN4OS
MOLECULAR WEIGHT: 420.99916
SMILES: CCCCCC(=O)NCC1CCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl
Structure:
CAS RN: 4761-70-0
CAS Name: 4-(4-chlorophenyl)-2-(2-methylpropylsulfinyl)-3-thiophenecarbonitrile
OPENEYE Name: 4-(4-chlorophenyl)-2-isobutylsulfinyl-thiophene-3-carbonitrile
IUPAC Name: 4-(4-chlorophenyl)-2-(2-methylpropylsulfinyl)thiophene-3-carbonitrile
SYSTEMATIC NAME: 4-(4-chlorophenyl)-2-(2-methylpropylsulfinyl)thiophene-3-carbonitrile
MOLECULAR FORMULA: C15H14ClNOS2
MOLECULAR WEIGHT: 323.86076
SMILES: CC(C)CS(=O)C1=C(C(=CS1)C2=CC=C(C=C2)Cl)C#N
Structure:
CAS RN: 5116-96-1
CAS Name: 1-[(2,3-dichlorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid
OPENEYE Name: 1-[(2,3-dichlorophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid
IUPAC Name: 1-[(2,3-dichlorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[[2,3-bis(chloranyl)phenyl]-(5-fluoranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C20H20Cl2FNO3
MOLECULAR WEIGHT: 412.282103
SMILES: COC1=C(C=C(C=C1)F)C(C2=C(C(=CC=C2)Cl)Cl)N3CCCC(C3)C(=O)O
Structure:
CAS RN: 5741-98-0
CAS Name: 3-(2-nitrophenyl)-2-propenoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester
OPENEYE Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-(2-nitrophenyl)prop-2-enoate
IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-(2-nitrophenyl)prop-2-enoate
SYSTEMATIC NAME: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(2-nitrophenyl)prop-2-enoate
MOLECULAR FORMULA: C20H15NO6
MOLECULAR WEIGHT: 365.3362
SMILES: CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC=CC=C3[N+](=O)[O-]
Structure:
CAS RN: 5741-97-9
CAS Name: 2-[[5-(4-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-[(2-methylpropylamino)-oxomethyl]acetamide
OPENEYE Name: 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isobutylcarbamoyl)acetamide
IUPAC Name: 2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-[[5-(4-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)ethanamide
MOLECULAR FORMULA: C22H24FN5O2S
MOLECULAR WEIGHT: 441.521663
SMILES: CC(C)CNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)F
Structure:
CAS RN: 5648-19-1
CAS Name: 2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
IUPAC Name: ethyl 2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C20H23N5O4S3
MOLECULAR WEIGHT: 493.62272
SMILES: CCN1C(=NN=C1SCC(=O)NC2=C(C(=C(S2)C(=O)NC)C)C(=O)OCC)C3=CC=CS3
Structure:
CAS RN: 5358-37-2
CAS Name: 4-[[3-(2-bromo-5-methoxy-4-propoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid methyl ester
OPENEYE Name: methyl 4-[[3-(2-bromo-5-methoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate
IUPAC Name: methyl 4-[[3-(2-bromo-5-methoxy-4-propoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-[[3-(2-bromanyl-5-methoxy-4-propoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate
MOLECULAR FORMULA: C22H21BrN2O5
MOLECULAR WEIGHT: 473.31654
SMILES: CCCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OC)OC
Structure:
CAS RN: 68941-03-7
CAS Name: N4,N4-bis(2-naphthalenyl)benzene-1,4-diamine
OPENEYE Name: N4,N4-bis(2-naphthyl)benzene-1,4-diamine
IUPAC Name: 4-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
SYSTEMATIC NAME: N4,N4-dinaphthalen-2-ylbenzene-1,4-diamine
MOLECULAR FORMULA: C26H20N2
MOLECULAR WEIGHT: 360.4504
SMILES: C1=CC=C2C=C(C=CC2=C1)N(C3=CC=C(C=C3)N)C4=CC5=CC=CC=C5C=C4
Structure:
CAS RN: 5731-29-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H34N6O4
MOLECULAR WEIGHT: 614.69296
SMILES: CCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NC5=C(C4C6=CC(=C(C(=C6)OC)OC)OC)C(=NN5C7=CC=CC=C7)C
Structure:
CAS RN: 5991-76-4
CAS Name: 2-(3-chlorophenyl)-5-(5-methyl-2-furanyl)-N-[2-(1-piperidinyl)ethyl]-3-pyrazolecarboxamide
OPENEYE Name: 2-(3-chlorophenyl)-5-(5-methyl-2-furyl)-N-[2-(1-piperidyl)ethyl]pyrazole-3-carboxamide
IUPAC Name: 2-(3-chlorophenyl)-5-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
SYSTEMATIC NAME: 2-(3-chlorophenyl)-5-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
MOLECULAR FORMULA: C22H25ClN4O2
MOLECULAR WEIGHT: 412.9125
SMILES: CC1=CC=C(O1)C2=NN(C(=C2)C(=O)NCCN3CCCCC3)C4=CC(=CC=C4)Cl
Structure:
CAS RN: 5991-15-1
CAS Name: 2-(2,4-dimethylphenyl)-N-ethoxy-5-thiophen-2-yl-3-pyrazolecarboxamide
OPENEYE Name: 2-(2,4-dimethylphenyl)-N-ethoxy-5-(2-thienyl)pyrazole-3-carboxamide
IUPAC Name: 2-(2,4-dimethylphenyl)-N-ethoxy-5-thiophen-2-ylpyrazole-3-carboxamide
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)-N-ethoxy-5-thiophen-2-yl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C18H19N3O2S
MOLECULAR WEIGHT: 341.42736
SMILES: CCONC(=O)C1=CC(=NN1C2=C(C=C(C=C2)C)C)C3=CC=CS3
Structure:
CAS RN: 5667-94-7
CAS Name: 4-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate
IUPAC Name: methyl 4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate
SYSTEMATIC NAME: methyl 4-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]benzoate
MOLECULAR FORMULA: C16H12ClNO2S2
MOLECULAR WEIGHT: 349.85498
SMILES: COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=CC(=C3)Cl
Structure:
CAS RN: 5879-51-6
CAS Name: 3-(3-cyclopentyl-1-oxopropyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-4-thiazolidinecarboxylic acid
OPENEYE Name: 2-(3-benzyloxy-4-methoxy-phenyl)-3-(3-cyclopentylpropanoyl)thiazolidine-4-carboxylic acid
IUPAC Name: 3-(3-cyclopentylpropanoyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
SYSTEMATIC NAME: 3-(3-cyclopentylpropanoyl)-2-(4-methoxy-3-phenylmethoxy-phenyl)-1,3-thiazolidine-4-carboxylic acid
MOLECULAR FORMULA: C26H31NO5S
MOLECULAR WEIGHT: 469.59304
SMILES: COC1=C(C=C(C=C1)C2N(C(CS2)C(=O)O)C(=O)CCC3CCCC3)OCC4=CC=CC=C4
Structure:
CAS RN: 5697-67-6
CAS Name: 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid (4-bromophenyl)methyl ester
OPENEYE Name: (4-bromophenyl)methyl 2,4-dichloro-5-(isobutylsulfamoyl)benzoate
IUPAC Name: (4-bromophenyl)methyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
SYSTEMATIC NAME: (4-bromophenyl)methyl 2,4-bis(chloranyl)-5-(2-methylpropylsulfamoyl)benzoate
MOLECULAR FORMULA: C18H18BrCl2NO4S
MOLECULAR WEIGHT: 495.21482
SMILES: CC(C)CNS(=O)(=O)C1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)Cl)Cl
Structure:
CAS RN: 5697-06-3
CAS Name: 1-[3-(dimethylammonio)propyl]-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate
OPENEYE Name: 1-[3-(dimethylammonio)propyl]-3-(2,4-dimethylthiazole-5-carbonyl)-5-oxo-2-(2-thienyl)-2H-pyrrol-4-olate
IUPAC Name: 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate
SYSTEMATIC NAME: 1-[3-(dimethylazaniumyl)propyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate
MOLECULAR FORMULA: C19H23N3O3S2
MOLECULAR WEIGHT: 405.53422
SMILES: CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CS3)CCC[NH+](C)C)[O-]
Structure:
CAS RN: 5786-98-1
CAS Name: N-[2-(2,6-dimethylanilino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-4-(1-tetrazolyl)benzamide
OPENEYE Name: N-[2-(2,6-dimethylanilino)-1-(4-hydroxy-3-methoxy-phenyl)-2-oxo-ethyl]-4-(tetrazol-1-yl)benzamide
IUPAC Name: N-[2-(2,6-dimethylanilino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-4-(tetrazol-1-yl)benzamide
SYSTEMATIC NAME: N-[2-[(2,6-dimethylphenyl)amino]-1-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-4-(1,2,3,4-tetrazol-1-yl)benzamide
MOLECULAR FORMULA: C25H24N6O4
MOLECULAR WEIGHT: 472.49586
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC(=C(C=C2)O)OC)NC(=O)C3=CC=C(C=C3)N4C=NN=N4
Structure:
CAS RN: 7228-39-9
CAS Name: (1-carboxycyclooctyl)ammonium
OPENEYE Name: (1-carboxycyclooctyl)ammonium
IUPAC Name: (1-carboxycyclooctyl)azanium
SYSTEMATIC NAME: (1-carboxycyclooctyl)azanium
MOLECULAR FORMULA: C9H18NO2+
MOLECULAR WEIGHT: 172.24472
SMILES: C1CCCC(CCC1)(C(=O)O)[NH3+]
Structure:
CAS RN: 5266-43-3
CAS Name: N-[3-(diethylamino)propyl]-5-[[(5-nitro-1H-indol-2-yl)-oxomethyl]amino]-1H-indole-2-carboxamide
OPENEYE Name: N-[3-(diethylamino)propyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide
IUPAC Name: N-[3-(diethylamino)propyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide
SYSTEMATIC NAME: N-[3-(diethylamino)propyl]-5-[(5-nitro-1H-indol-2-yl)carbonylamino]-1H-indole-2-carboxamide
MOLECULAR FORMULA: C25H28N6O4
MOLECULAR WEIGHT: 476.52762
SMILES: CCN(CC)CCCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]
Structure:
CAS RN: 5739-22-0
CAS Name: 6-bromo-3-(6-bromo-4-phenyl-2-quinolinyl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]-2-quinolinamine
OPENEYE Name: 6-bromo-3-(6-bromo-4-phenyl-2-quinolyl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine
IUPAC Name: 6-bromo-3-(6-bromo-4-phenylquinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine
SYSTEMATIC NAME: 6-bromanyl-3-(6-bromanyl-4-phenyl-quinolin-2-yl)-4-phenyl-N-[3-(trifluoromethyl)phenyl]quinolin-2-amine
MOLECULAR FORMULA: C37H22Br2F3N3
MOLECULAR WEIGHT: 725.39389
SMILES: C1=CC=C(C=C1)C2=CC(=NC3=C2C=C(C=C3)Br)C4=C(N=C5C=CC(=CC5=C4C6=CC=CC=C6)Br)NC7=CC=CC(=C7)C(F)(F)F
Structure:
CAS RN: 4598-82-7
CAS Name: 6-(3-hydroxypropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
OPENEYE Name: 6-(3-hydroxypropylamino)-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
IUPAC Name: 6-(3-hydroxypropylamino)-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SYSTEMATIC NAME: 3,3-dimethyl-6-(3-oxidanylpropylamino)-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
MOLECULAR FORMULA: C17H25N3O2
MOLECULAR WEIGHT: 303.3993
SMILES: CC(C)C1=C2COC(CC2=C(C(=N1)NCCCO)C#N)(C)C
Structure:
CAS RN: 5781-46-4
CAS Name: 5-(1,3-benzodioxol-5-yl)-9-chloro-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
OPENEYE Name: 5-(1,3-benzodioxol-5-yl)-9-chloro-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
IUPAC Name: 5-(1,3-benzodioxol-5-yl)-9-chloro-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SYSTEMATIC NAME: 5-(1,3-benzodioxol-5-yl)-9-chloranyl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
MOLECULAR FORMULA: C23H17ClN2O3
MOLECULAR WEIGHT: 404.84568
SMILES: C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6
Structure:
CAS RN: 5308-17-8
CAS Name: 1-acetyl-7-chloro-2-(2,5-dimethoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
OPENEYE Name: 1-acetyl-7-chloro-2-(2,5-dimethoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indane]-1',3'-dione
IUPAC Name: 1-acetyl-7-chloro-2-(2,5-dimethoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
SYSTEMATIC NAME: 7-chloranyl-2-(2,5-dimethoxyphenyl)-1-ethanoyl-spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
MOLECULAR FORMULA: C30H24ClNO5
MOLECULAR WEIGHT: 513.96826
SMILES: CC(=O)C1C(C2(C3N1C4=C(C=C3)C=C(C=C4)Cl)C(=O)C5=CC=CC=C5C2=O)C6=C(C=CC(=C6)OC)OC
Structure:
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