CAS RN: 5851-31-0
CAS Name: 2-methyl-3-phenyl-N-[4-(1-piperidinylsulfonyl)phenyl]-2-propenamide
OPENEYE Name: 2-methyl-3-phenyl-N-[4-(1-piperidylsulfonyl)phenyl]prop-2-enamide
IUPAC Name: 2-methyl-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
SYSTEMATIC NAME: 2-methyl-3-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
MOLECULAR FORMULA: C21H24N2O3S
MOLECULAR WEIGHT: 384.49186
SMILES: CC(=CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3
Structure:
CAS RN: 5533-14-2
CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
OPENEYE Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-isobutoxy-benzamide
IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
MOLECULAR FORMULA: C24H22N2O2S
MOLECULAR WEIGHT: 402.50868
SMILES: CC(C)COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3
Structure:
CAS RN: 5529-46-4
CAS Name: N-(4-chlorophenyl)-1-(3-methylcyclohexyl)-4-piperidinamine
OPENEYE Name: N-(4-chlorophenyl)-1-(3-methylcyclohexyl)piperidin-4-amine
IUPAC Name: N-(4-chlorophenyl)-1-(3-methylcyclohexyl)piperidin-4-amine
SYSTEMATIC NAME: N-(4-chlorophenyl)-1-(3-methylcyclohexyl)piperidin-4-amine
MOLECULAR FORMULA: C18H27ClN2
MOLECULAR WEIGHT: 306.87338
SMILES: CC1CCCC(C1)N2CCC(CC2)NC3=CC=C(C=C3)Cl
Structure:
CAS RN: 6503-50-0
CAS Name: 2-[4-oxo-2-(trichloromethyl)-2,3-dihydro-1,3,5-thiadiazin-6-yl]-2-triphenylphosphoranylideneacetonitrile
OPENEYE Name: 2-[4-oxo-2-(trichloromethyl)-2,3-dihydro-1,3,5-thiadiazin-6-yl]-2-(triphenyl-$l^{5}-phosphanylidene)acetonitrile
IUPAC Name: 2-[4-oxo-2-(trichloromethyl)-2,3-dihydro-1,3,5-thiadiazin-6-yl]-2-(triphenyl-$l^{5}-phosphanylidene)acetonitrile
SYSTEMATIC NAME: 2-[4-oxidanylidene-2-(trichloromethyl)-2,3-dihydro-1,3,5-thiadiazin-6-yl]-2-(triphenyl-$l^{5}-phosphanylidene)ethanenitrile
MOLECULAR FORMULA: C24H17Cl3N3OPS
MOLECULAR WEIGHT: 532.809041
SMILES: C1=CC=C(C=C1)P(=C(C#N)C2=NC(=O)NC(S2)C(Cl)(Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 6501-04-8
CAS Name: 5-[4-(4-chlorophenyl)sulfonylphenyl]-3H-1,3,4-thiadiazole-2-thione
OPENEYE Name: 5-[4-(4-chlorophenyl)sulfonylphenyl]-3H-1,3,4-thiadiazole-2-thione
IUPAC Name: 5-[4-(4-chlorophenyl)sulfonylphenyl]-3H-1,3,4-thiadiazole-2-thione
SYSTEMATIC NAME: 5-[4-(4-chlorophenyl)sulfonylphenyl]-3H-1,3,4-thiadiazole-2-thione
MOLECULAR FORMULA: C14H9ClN2O2S3
MOLECULAR WEIGHT: 368.88146
SMILES: C1=CC(=CC=C1C2=NNC(=S)S2)S(=O)(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 6550-92-1
CAS Name: 2-chloro-N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-5-(diethylsulfamoyl)benzamide
OPENEYE Name: 2-chloro-N-(2-chloro-5-morpholinosulfonyl-phenyl)-5-(diethylsulfamoyl)benzamide
IUPAC Name: 2-chloro-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(diethylsulfamoyl)benzamide
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-5-(diethylsulfamoyl)benzamide
MOLECULAR FORMULA: C21H25Cl2N3O6S2
MOLECULAR WEIGHT: 550.4757
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl
Structure:
CAS RN: 6549-08-2
CAS Name: N-[cyclohexyl-bis(4-morpholinyl)phosphoranylidene]-2-(2,4-dichlorophenoxy)acetamide
OPENEYE Name: N-[cyclohexyl(dimorpholino)-$l^{5}-phosphanylidene]-2-(2,4-dichlorophenoxy)acetamide
IUPAC Name: N-[cyclohexyl(dimorpholin-4-yl)-$l^{5}-phosphanylidene]-2-(2,4-dichlorophenoxy)acetamide
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-N-[cyclohexyl(dimorpholin-4-yl)-$l^{5}-phosphanylidene]ethanamide
MOLECULAR FORMULA: C22H32Cl2N3O4P
MOLECULAR WEIGHT: 504.386941
SMILES: C1CCC(CC1)P(=NC(=O)COC2=C(C=C(C=C2)Cl)Cl)(N3CCOCC3)N4CCOCC4
Structure:
CAS RN: 7472-94-8
CAS Name: 1-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-3-(cyclohexylmethyl)thiourea
OPENEYE Name: 1-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-3-(cyclohexylmethyl)thiourea
IUPAC Name: 1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(cyclohexylmethyl)thiourea
SYSTEMATIC NAME: 1-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-3-(cyclohexylmethyl)thiourea
MOLECULAR FORMULA: C14H23N5O2S
MOLECULAR WEIGHT: 325.42972
SMILES: CN1C(=C(C(=O)N(C1=O)C)NC(=S)NCC2CCCCC2)N
Structure:
CAS RN: 6163-48-0
CAS Name: N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide
OPENEYE Name: N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide
IUPAC Name: N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C23H23ClN4O3S
MOLECULAR WEIGHT: 470.97172
SMILES: CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CC(=C(C=C2)OCC3=CC=CC=C3Cl)OC)C
Structure:
CAS RN: 6180-05-8
CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-N,N-dimethylbenzenesulfonamide
OPENEYE Name: 4-(3,5-dimethylpiperidine-1-carbonyl)-N,N-dimethyl-benzenesulfonamide
IUPAC Name: 4-(3,5-dimethylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
SYSTEMATIC NAME: 4-(3,5-dimethylpiperidin-1-yl)carbonyl-N,N-dimethyl-benzenesulfonamide
MOLECULAR FORMULA: C16H24N2O3S
MOLECULAR WEIGHT: 324.43836
SMILES: CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)C
Structure:
CAS RN: 6178-83-2
CAS Name: 2-[[2-(3-methoxyphenoxy)-1-oxoethyl]amino]-4-methylpentanoic acid
OPENEYE Name: 2-[[2-(3-methoxyphenoxy)acetyl]amino]-4-methyl-pentanoic acid
IUPAC Name: 2-[[2-(3-methoxyphenoxy)acetyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: 2-[2-(3-methoxyphenoxy)ethanoylamino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C15H21NO5
MOLECULAR WEIGHT: 295.33094
SMILES: CC(C)CC(C(=O)O)NC(=O)COC1=CC=CC(=C1)OC
Structure:
CAS RN: 6874-96-0
CAS Name: 3-(1-naphthalenyl)-2-propenoic acid [3-(2-chlorophenoxy)-4-oxo-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(2-chlorophenoxy)-4-oxo-chromen-7-yl] 3-(1-naphthyl)prop-2-enoate
IUPAC Name: [3-(2-chlorophenoxy)-4-oxochromen-7-yl] 3-naphthalen-1-ylprop-2-enoate
SYSTEMATIC NAME: [3-(2-chloranylphenoxy)-4-oxidanylidene-chromen-7-yl] 3-naphthalen-1-ylprop-2-enoate
MOLECULAR FORMULA: C28H17ClO5
MOLECULAR WEIGHT: 468.88458
SMILES: C1=CC=C2C(=C1)C=CC=C2C=CC(=O)OC3=CC4=C(C=C3)C(=O)C(=CO4)OC5=CC=CC=C5Cl
Structure:
CAS RN: 6874-95-9
CAS Name: 3-(1-naphthalenyl)-2-propenoic acid [4-oxo-3-(2-propan-2-ylphenoxy)-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(2-isopropylphenoxy)-4-oxo-chromen-7-yl] 3-(1-naphthyl)prop-2-enoate
IUPAC Name: [4-oxo-3-(2-propan-2-ylphenoxy)chromen-7-yl] 3-naphthalen-1-ylprop-2-enoate
SYSTEMATIC NAME: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)chromen-7-yl] 3-naphthalen-1-ylprop-2-enoate
MOLECULAR FORMULA: C31H24O5
MOLECULAR WEIGHT: 476.51926
SMILES: CC(C)C1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C=CC4=CC=CC5=CC=CC=C54
Structure:
CAS RN: 6863-22-5
CAS Name: N-(2-methoxy-4-methylphenyl)-3-phenyl-2-propenamide
OPENEYE Name: N-(2-methoxy-4-methyl-phenyl)-3-phenyl-prop-2-enamide
IUPAC Name: N-(2-methoxy-4-methylphenyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: N-(2-methoxy-4-methyl-phenyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: CC1=CC(=C(C=C1)NC(=O)C=CC2=CC=CC=C2)OC
Structure:
CAS RN: 5988-45-4
CAS Name: [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-(4-phenylphenyl)methanone
OPENEYE Name: [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(4-phenylphenyl)methanone
IUPAC Name: [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
SYSTEMATIC NAME: [3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
MOLECULAR FORMULA: C26H22ClN3O2
MOLECULAR WEIGHT: 443.92478
SMILES: C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC(=NO4)C5=CC=C(C=C5)Cl
Structure:
CAS RN: 4152-58-3
CAS Name: 9-(3,4-dihydroxy-5-methyl-2-oxolanyl)-3H-purine-6-thione
OPENEYE Name: 9-(3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)-3H-purine-6-thione
IUPAC Name: 9-(3,4-dihydroxy-5-methyloxolan-2-yl)-3H-purine-6-thione
SYSTEMATIC NAME: 9-[5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H12N4O3S
MOLECULAR WEIGHT: 268.29228
SMILES: CC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)O)O
Structure:
CAS RN: 6160-75-4
CAS Name: 2-amino-1-(4-ethylphenyl)-4-[3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
OPENEYE Name: 2-amino-1-(4-ethylphenyl)-4-[3-[(4-fluorophenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
IUPAC Name: 2-amino-1-(4-ethylphenyl)-4-[3-[(4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-1-(4-ethylphenyl)-4-[3-[(4-fluoranylphenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C35H36FN3O2
MOLECULAR WEIGHT: 549.677643
SMILES: CCC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CC(=C4C)COC5=CC=C(C=C5)F)C)C(=O)CC(C3)(C)C
Structure:
CAS RN: 6160-14-1
CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
OPENEYE Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
IUPAC Name: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-1-(2-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile
MOLECULAR FORMULA: C22H19BrN4O3S
MOLECULAR WEIGHT: 499.38026
SMILES: CCC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4[N+](=O)[O-])N)C#N)Br
Structure:
CAS RN: 5631-03-8
CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-1-(10-phenothiazinyl)ethanone
OPENEYE Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-1-phenothiazin-10-yl-ethanone
IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-phenothiazin-10-ylethanone
SYSTEMATIC NAME: 2-(4-methylquinolin-2-yl)sulfanyl-1-phenothiazin-10-yl-ethanone
MOLECULAR FORMULA: C24H18N2OS2
MOLECULAR WEIGHT: 414.54252
SMILES: CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53
Structure:
CAS RN: 6387-91-3
CAS Name: N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-(4-nitrophenyl)acetamide
OPENEYE Name: N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-(4-nitrophenyl)acetamide
IUPAC Name: N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-(4-nitrophenyl)acetamide
SYSTEMATIC NAME: N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-(4-nitrophenyl)ethanamide
MOLECULAR FORMULA: C16H13Cl2N3O3
MOLECULAR WEIGHT: 366.19872
SMILES: CC(=NNC(=O)CC1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 6387-30-0
CAS Name: 2-[[[2-(4-ethylphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[2-(4-ethylphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C29H28N2O3S
MOLECULAR WEIGHT: 484.60922
SMILES: CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCC
Structure:
CAS RN: 6483-82-5
CAS Name: N-[3-[[5-(4-fluorophenyl)-2-pyrimidinyl]oxy]phenyl]acetamide
OPENEYE Name: N-[3-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]acetamide
IUPAC Name: N-[3-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]acetamide
SYSTEMATIC NAME: N-[3-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]ethanamide
MOLECULAR FORMULA: C18H14FN3O2
MOLECULAR WEIGHT: 323.321063
SMILES: CC(=O)NC1=CC(=CC=C1)OC2=NC=C(C=N2)C3=CC=C(C=C3)F
Structure:
CAS RN: 6483-21-2
CAS Name: 5-(4-chlorophenyl)-N-(phenylmethyl)-2-pyrimidinamine
OPENEYE Name: N-benzyl-5-(4-chlorophenyl)pyrimidin-2-amine
IUPAC Name: N-benzyl-5-(4-chlorophenyl)pyrimidin-2-amine
SYSTEMATIC NAME: 5-(4-chlorophenyl)-N-(phenylmethyl)pyrimidin-2-amine
MOLECULAR FORMULA: C17H14ClN3
MOLECULAR WEIGHT: 295.76616
SMILES: C1=CC=C(C=C1)CNC2=NC=C(C=N2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 5720-22-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H30Cl2N6
MOLECULAR WEIGHT: 605.5589
SMILES: CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C(C3=N2)NC5=CC(=C(C=C5)Cl)Cl)C6=CC=C(C=C6)C(C)(C)C)C7=CC=CC=C7
Structure:
CAS RN: 5847-63-2
CAS Name: 2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
OPENEYE Name: 2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
IUPAC Name: 2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(2,3-diethoxyphenyl)-7-methyl-5-oxidanylidene-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
MOLECULAR FORMULA: C28H29N3O4
MOLECULAR WEIGHT: 471.54756
SMILES: CCOC1=CC=CC(=C1OCC)C2C(=C(OC3=C2C(=O)N(C(=C3)C)CCC4=CC=CC=C4)N)C#N
Structure:
CAS RN: 6167-12-0
CAS Name: 3-[5-[[1-(4-methoxycarbonylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-furanyl]benzoic acid
OPENEYE Name: 3-[5-[[1-(4-methoxycarbonylphenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoic acid
IUPAC Name: 3-[5-[[1-(4-methoxycarbonylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
SYSTEMATIC NAME: 3-[5-[[1-(4-methoxycarbonylphenyl)-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
MOLECULAR FORMULA: C23H16N2O7
MOLECULAR WEIGHT: 432.38234
SMILES: COC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)N2
Structure:
CAS RN: 6383-30-8
CAS Name: triphenyl(6-tetrazolo[1,5-b]pyridazinylimino)phosphorane
OPENEYE Name: triphenyl(tetrazolo[1,5-b]pyridazin-6-ylimino)-$l^{5}-phosphane
IUPAC Name: triphenyl(tetrazolo[1,5-b]pyridazin-6-ylimino)-$l^{5}-phosphane
SYSTEMATIC NAME: triphenyl([1,2,3,4]tetrazolo[1,5-b]pyridazin-6-ylimino)-$l^{5}-phosphane
MOLECULAR FORMULA: C22H17N6P
MOLECULAR WEIGHT: 396.384341
SMILES: C1=CC=C(C=C1)P(=NC2=NN3C(=NN=N3)C=C2)(C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 5319-16-4
CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-2-(2,4-dichlorophenoxy)propanamide
OPENEYE Name: N-(2-adamantylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
IUPAC Name: N-(2-adamantylcarbamothioyl)-2-(2,4-dichlorophenoxy)propanamide
SYSTEMATIC NAME: N-(2-adamantylcarbamothioyl)-2-[2,4-bis(chloranyl)phenoxy]propanamide
MOLECULAR FORMULA: C20H24Cl2N2O2S
MOLECULAR WEIGHT: 427.38776
SMILES: CC(C(=O)NC(=S)NC1C2CC3CC(C2)CC1C3)OC4=C(C=C(C=C4)Cl)Cl
Structure:
CAS RN: 5757-29-9
CAS Name: 2-methyl-N4,N6-bis(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
OPENEYE Name: 2-methyl-5-nitro-N4,N6-bis(o-tolyl)pyrimidine-4,6-diamine
IUPAC Name: 2-methyl-4-N,6-N-bis(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
SYSTEMATIC NAME: 2-methyl-N4,N6-bis(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine
MOLECULAR FORMULA: C19H19N5O2
MOLECULAR WEIGHT: 349.38646
SMILES: CC1=CC=CC=C1NC2=C(C(=NC(=N2)C)NC3=CC=CC=C3C)[N+](=O)[O-]
Structure:
CAS RN: 6241-30-1
CAS Name: 3-(4-methyl-1-piperidin-1-iumyl)propylammonium
OPENEYE Name: 3-(4-methylpiperidin-1-ium-1-yl)propylammonium
IUPAC Name: 3-(4-methylpiperidin-1-ium-1-yl)propylazanium
SYSTEMATIC NAME: 3-(4-methylpiperidin-1-ium-1-yl)propylazanium
MOLECULAR FORMULA: C9H22N2+2
MOLECULAR WEIGHT: 158.28438
SMILES: CC1CC[NH+](CC1)CCC[NH3+]
Structure:
CAS RN: 6762-09-0
CAS Name: 4-[3-[4-(dimethylamino)phenyl]-8-methoxy-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]-3-penten-2-one
OPENEYE Name: 4-[3-[4-(dimethylamino)phenyl]-8-methoxy-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]pent-3-en-2-one
IUPAC Name: 4-[3-[4-(dimethylamino)phenyl]-8-methoxy-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]pent-3-en-2-one
SYSTEMATIC NAME: 4-[3-[4-(dimethylamino)phenyl]-8-methoxy-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]pent-3-en-2-one
MOLECULAR FORMULA: C25H29N3O2
MOLECULAR WEIGHT: 403.51666
SMILES: CC(=CC(=O)C)N1C(C2=C(N1)C3=C(CC2)C=CC(=C3)OC)C4=CC=C(C=C4)N(C)C
Structure:
CAS RN: 5050-95-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30O3
MOLECULAR WEIGHT: 342.4718
SMILES: CC12CCC3C1(C3)C(=O)CC4C2CCC5(C4CCC56CCC(=O)O6)C
Structure:
CAS RN: 5995-77-7
CAS Name: 4-[[2-(3,4-dichlorophenyl)-5-phenyl-3-pyrazolyl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[[2-(3,4-dichlorophenyl)-5-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[2-(3,4-dichlorophenyl)-5-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C19H15Cl2N3O3
MOLECULAR WEIGHT: 404.2467
SMILES: C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCC(=O)O)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 5108-56-5
CAS Name: 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
IUPAC Name: 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-[(3-bromophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
MOLECULAR FORMULA: C21H24BrNO3
MOLECULAR WEIGHT: 418.32416
SMILES: CCOC1=CC=CC(=C1)C(C2=CC(=CC=C2)Br)N3CCC(CC3)C(=O)O
Structure:
CAS RN: 5354-76-7
CAS Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-chlorobenzamide
OPENEYE Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-chloro-benzamide
IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-chlorobenzamide
SYSTEMATIC NAME: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-chloranyl-benzamide
MOLECULAR FORMULA: C21H15ClN2OS
MOLECULAR WEIGHT: 378.8746
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)C4=CC(=CC=C4)Cl
Structure:
CAS RN: 5354-15-4
CAS Name: 1-(2-furanylmethyl)-3-(6-quinazolinyl)thiourea
OPENEYE Name: 1-(2-furylmethyl)-3-quinazolin-6-yl-thiourea
IUPAC Name: 1-(furan-2-ylmethyl)-3-quinazolin-6-ylthiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-quinazolin-6-yl-thiourea
MOLECULAR FORMULA: C14H12N4OS
MOLECULAR WEIGHT: 284.33628
SMILES: C1=COC(=C1)CNC(=S)NC2=CC3=CN=CN=C3C=C2
Structure:
CAS RN: 5840-14-2
CAS Name: N-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]-4-pyridinecarboxamide
OPENEYE Name: N-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]pyridine-4-carboxamide
IUPAC Name: N-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]pyridine-4-carboxamide
MOLECULAR FORMULA: C24H23N3O5
MOLECULAR WEIGHT: 433.45652
SMILES: COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2NC(=O)C4=CC=NC=C4)OC)OC
Structure:
CAS RN: 6678-50-8
CAS Name: 13-acetyloxy-2-chlorotridecanoic acid ethyl ester
OPENEYE Name: ethyl 13-acetoxy-2-chloro-tridecanoate
IUPAC Name: ethyl 13-acetyloxy-2-chlorotridecanoate
SYSTEMATIC NAME: ethyl 13-acetyloxy-2-chloranyl-tridecanoate
MOLECULAR FORMULA: C17H31ClO4
MOLECULAR WEIGHT: 334.87864
SMILES: CCOC(=O)C(CCCCCCCCCCCOC(=O)C)Cl
Structure:
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