CAS RN: 3757-88-8
CAS Name: tributyl(2-phenylethynyl)stannane
OPENEYE Name: tributyl(2-phenylethynyl)stannane
IUPAC Name: tributyl(2-phenylethynyl)stannane
SYSTEMATIC NAME: tributyl(2-phenylethynyl)stannane
MOLECULAR FORMULA: C20H32Sn
MOLECULAR WEIGHT: 391.17808
SMILES: CCCC[Sn](CCCC)(CCCC)C#CC1=CC=CC=C1
Structure:
CAS RN: 47250-53-3
CAS Name: 3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline
OPENEYE Name: 3-[1-(3-aminophenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]aniline
IUPAC Name: 3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline
SYSTEMATIC NAME: 3-[2-(3-aminophenyl)-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]aniline
MOLECULAR FORMULA: C15H12F6N2
MOLECULAR WEIGHT: 334.259599
SMILES: C1=CC(=CC(=C1)N)C(C2=CC(=CC=C2)N)(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 73746-44-8
CAS Name: 4,5-diiodo-2-methyl-1H-imidazole
OPENEYE Name: 4,5-diiodo-2-methyl-1H-imidazole
IUPAC Name: 4,5-diiodo-2-methyl-1H-imidazole
SYSTEMATIC NAME: 4,5-bis(iodanyl)-2-methyl-1H-imidazole
MOLECULAR FORMULA: C4H4I2N2
MOLECULAR WEIGHT: 333.8969
SMILES: CC1=NC(=C(N1)I)I
Structure:
CAS RN: 79709-85-6
CAS Name: 1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
OPENEYE Name: 1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
IUPAC Name: 1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SYSTEMATIC NAME: 1-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
MOLECULAR FORMULA: C25H34
MOLECULAR WEIGHT: 334.53746
SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC
Structure:
CAS RN: 49757-42-8
CAS Name: 1-[chloro-bis(4-methoxyphenyl)methyl]-4-methoxybenzene
OPENEYE Name: 1-[chloro-bis(4-methoxyphenyl)methyl]-4-methoxy-benzene
IUPAC Name: 1-[chloro-bis(4-methoxyphenyl)methyl]-4-methoxybenzene
SYSTEMATIC NAME: 1-[chloranyl-bis(4-methoxyphenyl)methyl]-4-methoxy-benzene
MOLECULAR FORMULA: C22H21ClO3
MOLECULAR WEIGHT: 368.85334
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)Cl
Structure:
CAS RN: 57346-61-9
CAS Name: 1,3,5-trichloro-2-(4-phenylphenyl)benzene
OPENEYE Name: 1,3,5-trichloro-2-(4-phenylphenyl)benzene
IUPAC Name: 1,3,5-trichloro-2-(4-phenylphenyl)benzene
SYSTEMATIC NAME: 1,3,5-tris(chloranyl)-2-(4-phenylphenyl)benzene
MOLECULAR FORMULA: C18H11Cl3
MOLECULAR WEIGHT: 333.63894
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=C(C=C3Cl)Cl)Cl
Structure:
CAS RN: 602-15-3
CAS Name: 9,10-diphenylphenanthrene
OPENEYE Name: 9,10-diphenylphenanthrene
IUPAC Name: 9,10-diphenylphenanthrene
SYSTEMATIC NAME: 9,10-diphenylphenanthrene
MOLECULAR FORMULA: C26H18
MOLECULAR WEIGHT: 330.42112
SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5
Structure:
CAS RN: 1812-33-5
CAS Name: 7-bromo-1-methyl-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-one
OPENEYE Name: 7-bromo-1-methyl-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one
IUPAC Name: 7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-bromanyl-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C15H12BrN3O
MOLECULAR WEIGHT: 330.17928
SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3
Structure:
CAS RN: 55058-52-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12O7
MOLECULAR WEIGHT: 328.27298
SMILES: COC1=C2C3=C(C(=O)CC3O)C(=O)OC2=C4C5C=COC5OC4=C1
Structure:
CAS RN: 516-15-4
CAS Name: 17-acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
OPENEYE Name: 17-acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
IUPAC Name: 17-acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: 17-ethanoyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
MOLECULAR FORMULA: C21H28O3
MOLECULAR WEIGHT: 328.44522
SMILES: CC(=O)C1CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C
Structure:
CAS RN: 16292-17-4
CAS Name: 4-bromo-N-(4-bromophenyl)aniline
OPENEYE Name: 4-bromo-N-(4-bromophenyl)aniline
IUPAC Name: 4-bromo-N-(4-bromophenyl)aniline
SYSTEMATIC NAME: 4-bromanyl-N-(4-bromophenyl)aniline
MOLECULAR FORMULA: C12H9Br2N
MOLECULAR WEIGHT: 327.01456
SMILES: C1=CC(=CC=C1NC2=CC=C(C=C2)Br)Br
Structure:
CAS RN: 32387-96-5
CAS Name: 2,3-diphenyl-6-quinoxalinecarboxylic acid
OPENEYE Name: 2,3-diphenylquinoxaline-6-carboxylic acid
IUPAC Name: 2,3-diphenylquinoxaline-6-carboxylic acid
SYSTEMATIC NAME: 2,3-diphenylquinoxaline-6-carboxylic acid
MOLECULAR FORMULA: C21H14N2O2
MOLECULAR WEIGHT: 326.34806
SMILES: C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CC=C4
Structure:
CAS RN: 5232-73-5
CAS Name: N-(1-hydroxy-2,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
OPENEYE Name: N-(1-hydroxy-2,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
IUPAC Name: N-(1-hydroxy-2,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
SYSTEMATIC NAME: N-(2,3,10-trimethoxy-1-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ethanamide
MOLECULAR FORMULA: C21H23NO6
MOLECULAR WEIGHT: 385.41042
SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)O)OC)OC
Structure:
CAS RN: 34080-91-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H16O7
MOLECULAR WEIGHT: 368.33684
SMILES: COC1=CC(=C2C(=C1)C(=O)C3=CC4=C(C5CCOC5O4)C(=C3C2=O)OC)O
Structure:
CAS RN: 99324-96-6
CAS Name: 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)butane
OPENEYE Name: 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)butane
IUPAC Name: 1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)butane
SYSTEMATIC NAME: 1,1,1,2-tetrakis(fluoranyl)-4-iodanyl-2-(trifluoromethyl)butane
MOLECULAR FORMULA: C5H4F7I
MOLECULAR WEIGHT: 323.978552
SMILES: C(CI)C(C(F)(F)F)(C(F)(F)F)F
Structure:
CAS RN: 112445-67-7
CAS Name: 2-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4,5-dihydropyridazin-3-one
OPENEYE Name: 2-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4,5-dihydropyridazin-3-one
IUPAC Name: 2-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4,5-dihydropyridazin-3-one
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4,5-dihydropyridazin-3-one
MOLECULAR FORMULA: C17H13ClN4O
MOLECULAR WEIGHT: 324.76432
SMILES: C1CC(=O)N(N=C1C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4N3
Structure:
CAS RN: 6864-20-6
CAS Name: 2,4,6-triphenylaniline
OPENEYE Name: 2,4,6-triphenylaniline
IUPAC Name: 2,4,6-triphenylaniline
SYSTEMATIC NAME: 2,4,6-triphenylaniline
MOLECULAR FORMULA: C24H19N
MOLECULAR WEIGHT: 321.41436
SMILES: C1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)N)C4=CC=CC=C4
Structure:
CAS RN: 341-58-2
CAS Name: 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
OPENEYE Name: 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
IUPAC Name: 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
SYSTEMATIC NAME: 4-[4-azanyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
MOLECULAR FORMULA: C14H10F6N2
MOLECULAR WEIGHT: 320.233019
SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C2=C(C=C(C=C2)N)C(F)(F)F
Structure:
CAS RN: 1003-91-4
CAS Name: 2,4,5-tribromo-1-methylimidazole
OPENEYE Name: 2,4,5-tribromo-1-methyl-imidazole
IUPAC Name: 2,4,5-tribromo-1-methylimidazole
SYSTEMATIC NAME: 2,4,5-tris(bromanyl)-1-methyl-imidazole
MOLECULAR FORMULA: C4H3Br3N2
MOLECULAR WEIGHT: 318.79202
SMILES: CN1C(=C(N=C1Br)Br)Br
Structure:
CAS RN: 35340-49-9
CAS Name: 2-(3,6-diacetyloxy-9H-xanthen-9-yl)benzoic acid
OPENEYE Name: 2-(3,6-diacetoxy-9H-xanthen-9-yl)benzoic acid
IUPAC Name: 2-(3,6-diacetyloxy-9H-xanthen-9-yl)benzoic acid
SYSTEMATIC NAME: 2-(3,6-diacetyloxy-9H-xanthen-9-yl)benzoic acid
MOLECULAR FORMULA: C24H18O7
MOLECULAR WEIGHT: 418.39552
SMILES: CC(=O)OC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC(=O)C)C4=CC=CC=C4C(=O)O
Structure:
CAS RN: 50984-88-8
CAS Name: 3,3-bis(4-hydroxy-2,5-dimethylphenyl)-1-isobenzofuranone
OPENEYE Name: 3,3-bis(4-hydroxy-2,5-dimethyl-phenyl)isobenzofuran-1-one
IUPAC Name: 3,3-bis(4-hydroxy-2,5-dimethylphenyl)-2-benzofuran-1-one
SYSTEMATIC NAME: 3,3-bis(2,5-dimethyl-4-oxidanyl-phenyl)-2-benzofuran-1-one
MOLECULAR FORMULA: C24H22O4
MOLECULAR WEIGHT: 374.42908
SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C)C)O
Structure:
CAS RN: 75806-85-8
CAS Name: 2,3,5-tribromopyridine
OPENEYE Name: 2,3,5-tribromopyridine
IUPAC Name: 2,3,5-tribromopyridine
SYSTEMATIC NAME: 2,3,5-tris(bromanyl)pyridine
MOLECULAR FORMULA: C5H2Br3N
MOLECULAR WEIGHT: 315.78808
SMILES: C1=C(C=NC(=C1Br)Br)Br
Structure:
CAS RN: 13119-86-3
CAS Name: 1-methylcoronene
OPENEYE Name: 1-methylcoronene
IUPAC Name: 1-methylcoronene
SYSTEMATIC NAME: 1-methylcoronene
MOLECULAR FORMULA: C25H14
MOLECULAR WEIGHT: 314.37866
SMILES: CC1=C2C=CC3=C4C2=C5C(=C1)C=CC6=C5C7=C(C=CC(=C74)C=C3)C=C6
Structure:
CAS RN: 1743-60-8
CAS Name: acetic acid (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester
OPENEYE Name: (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
IUPAC Name: (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
SYSTEMATIC NAME: (13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ethanoate
MOLECULAR FORMULA: C20H26O3
MOLECULAR WEIGHT: 314.41864
SMILES: CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C
Structure:
CAS RN: 1621-61-0
CAS Name: 3-(3,4-dimethoxyphenyl)-7-methoxy-1-benzopyran-4-one
OPENEYE Name: 3-(3,4-dimethoxyphenyl)-7-methoxy-chromen-4-one
IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-7-methoxy-chromen-4-one
MOLECULAR FORMULA: C18H16O5
MOLECULAR WEIGHT: 312.31664
SMILES: COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)OC
Structure:
CAS RN: 2233-44-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H42N2O6
MOLECULAR WEIGHT: 622.74988
SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)N(CCC6=CC(=C5OC)OC)C)OC
Structure:
CAS RN: 106531-84-4
CAS Name: 3,4-dimethyl-1-(6-methyl-1,3-benzothiazol-2-yl)-6-pyrano[2,3-c]pyrazolone
OPENEYE Name: 3,4-dimethyl-1-(6-methyl-1,3-benzothiazol-2-yl)pyrano[2,3-c]pyrazol-6-one
IUPAC Name: 3,4-dimethyl-1-(6-methyl-1,3-benzothiazol-2-yl)pyrano[2,3-c]pyrazol-6-one
SYSTEMATIC NAME: 3,4-dimethyl-1-(6-methyl-1,3-benzothiazol-2-yl)pyrano[2,3-c]pyrazol-6-one
MOLECULAR FORMULA: C16H13N3O2S
MOLECULAR WEIGHT: 311.35832
SMILES: CC1=CC2=C(C=C1)N=C(S2)N3C4=C(C(=CC(=O)O4)C)C(=N3)C
Structure:
CAS RN: 6799-27-5
CAS Name: 3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
OPENEYE Name: 3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
IUPAC Name: 3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
SYSTEMATIC NAME: 3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
MOLECULAR FORMULA: C23H25NO4
MOLECULAR WEIGHT: 379.4489
SMILES: COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)OC)OC
Structure:
CAS RN: 2394-87-8
CAS Name: 4,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
OPENEYE Name: 4,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
IUPAC Name: 4,6-dichloro-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C10H5Cl2F3N4
MOLECULAR WEIGHT: 309.07471
SMILES: C1=CC(=CC(=C1)NC2=NC(=NC(=N2)Cl)Cl)C(F)(F)F
Structure:
CAS RN: 5785-95-5
CAS Name: N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylthio)acetamide
OPENEYE Name: N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
IUPAC Name: N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
SYSTEMATIC NAME: N-(4-azanyl-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanamide
MOLECULAR FORMULA: C11H9N5O2S2
MOLECULAR WEIGHT: 307.35146
SMILES: C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=NON=C3N
Structure:
CAS RN: 172881-99-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19N2O3P
MOLECULAR WEIGHT: 306.296721
SMILES: CC12CN3CC(C1=O)(CN(C2)P3(=O)OC4=CC=CC=C4)C
Structure:
CAS RN: 132458-96-9
CAS Name: 3-(4-chlorophenyl)-2-(3-pyridinyl)imidazo[4,5-b]pyridine
OPENEYE Name: 3-(4-chlorophenyl)-2-(3-pyridyl)imidazo[4,5-b]pyridine
IUPAC Name: 3-(4-chlorophenyl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
SYSTEMATIC NAME: 3-(4-chlorophenyl)-2-pyridin-3-yl-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C17H11ClN4
MOLECULAR WEIGHT: 306.74904
SMILES: C1=CC(=CN=C1)C2=NC3=C(N2C4=CC=C(C=C4)Cl)N=CC=C3
Structure:
CAS RN: 17635-44-8
CAS Name: 3,4,5-tribromo-1H-pyrazole
OPENEYE Name: 3,4,5-tribromo-1H-pyrazole
IUPAC Name: 3,4,5-tribromo-1H-pyrazole
SYSTEMATIC NAME: 3,4,5-tris(bromanyl)-1H-pyrazole
MOLECULAR FORMULA: C3HBr3N2
MOLECULAR WEIGHT: 304.76544
SMILES: C1(=C(NN=C1Br)Br)Br
Structure:
CAS RN: 40615-35-8
CAS Name: bis(4-methoxyphenyl)-phenylmethanol
OPENEYE Name: bis(4-methoxyphenyl)-phenyl-methanol
IUPAC Name: bis(4-methoxyphenyl)-phenylmethanol
SYSTEMATIC NAME: bis(4-methoxyphenyl)-phenyl-methanol
MOLECULAR FORMULA: C21H20O3
MOLECULAR WEIGHT: 320.3817
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)O
Structure:
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