CAS RN: 6935-70-2
CAS Name: 3-methylbutanoic acid (2-cyclohexylcyclohexyl) ester
OPENEYE Name: (2-cyclohexylcyclohexyl) 3-methylbutanoate
IUPAC Name: (2-cyclohexylcyclohexyl) 3-methylbutanoate
SYSTEMATIC NAME: (2-cyclohexylcyclohexyl) 3-methylbutanoate
MOLECULAR FORMULA: C17H30O2
MOLECULAR WEIGHT: 266.4189
SMILES: CC(C)CC(=O)OC1CCCCC1C2CCCCC2
Structure:
CAS RN: 6935-69-9
CAS Name: pentanoic acid (2-cyclohexylcyclohexyl) ester
OPENEYE Name: (2-cyclohexylcyclohexyl) pentanoate
IUPAC Name: (2-cyclohexylcyclohexyl) pentanoate
SYSTEMATIC NAME: (2-cyclohexylcyclohexyl) pentanoate
MOLECULAR FORMULA: C17H30O2
MOLECULAR WEIGHT: 266.4189
SMILES: CCCCC(=O)OC1CCCCC1C2CCCCC2
Structure:
CAS RN: 5457-79-4
CAS Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
OPENEYE Name: 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
IUPAC Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
SYSTEMATIC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
MOLECULAR FORMULA: C27H49N
MOLECULAR WEIGHT: 387.68466
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N)C)C
Structure:
CAS RN: 508-65-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H43NO8
MOLECULAR WEIGHT: 509.63222
SMILES: CC1CCC2C(C3C(CN2C1)C4CC56C(C4(C(C3O)O)O)C(CC7C5(CCC(C7(O6)O)O)C)O)(C)O
Structure:
CAS RN: 7146-70-5
CAS Name: 6-(dimethylamino)-4-phenyl-4-(2-pyridinyl)-3-hexanol
OPENEYE Name: 6-(dimethylamino)-4-phenyl-4-(2-pyridyl)hexan-3-ol
IUPAC Name: 6-(dimethylamino)-4-phenyl-4-pyridin-2-ylhexan-3-ol
SYSTEMATIC NAME: 6-(dimethylamino)-4-phenyl-4-pyridin-2-yl-hexan-3-ol
MOLECULAR FORMULA: C19H26N2O
MOLECULAR WEIGHT: 298.42254
SMILES: CCC(C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=N2)O
Structure:
CAS RN: 5267-39-0
CAS Name: (4-chlorophenyl)-phenylmethanamine
OPENEYE Name: (4-chlorophenyl)-phenyl-methanamine
IUPAC Name: (4-chlorophenyl)-phenylmethanamine
SYSTEMATIC NAME: (4-chlorophenyl)-phenyl-methanamine
MOLECULAR FORMULA: C13H12ClN
MOLECULAR WEIGHT: 217.69408
SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N
Structure:
CAS RN: 6974-48-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H18O7
MOLECULAR WEIGHT: 274.26712
SMILES: CC1(OC2COC3(C(C2O1)OC(O3)(C)C)C(=O)O)C
Structure:
CAS RN: 7355-70-6
CAS Name: 1-[4-[(6-chloro-2-methoxy-9-acridinyl)amino]phenyl]-2-(1-piperidinyl)ethanol
OPENEYE Name: 1-[4-[(6-chloro-2-methoxy-acridin-9-yl)amino]phenyl]-2-(1-piperidyl)ethanol
IUPAC Name: 1-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-2-piperidin-1-ylethanol
SYSTEMATIC NAME: 1-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]phenyl]-2-piperidin-1-yl-ethanol
MOLECULAR FORMULA: C27H28ClN3O2
MOLECULAR WEIGHT: 461.98312
SMILES: COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC=C(C=C4)C(CN5CCCCC5)O
Structure:
CAS RN: 7256-22-6
CAS Name: bromo(2-methoxybutyl)mercury
OPENEYE Name: bromo(2-methoxybutyl)mercury
IUPAC Name: bromo(2-methoxybutyl)mercury
SYSTEMATIC NAME: bromanyl(2-methoxybutyl)mercury
MOLECULAR FORMULA: C5H11BrHgO
MOLECULAR WEIGHT: 367.63424
SMILES: CCC(C[Hg]Br)OC
Structure:
CAS RN: 11024-24-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H92O29
MOLECULAR WEIGHT: 1229.31228
SMILES: CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1
Structure:
CAS RN: 5455-58-3
CAS Name: 2,2-dimethyl-1-propanesulfonic acid
OPENEYE Name: 2,2-dimethylpropane-1-sulfonic acid
IUPAC Name: 2,2-dimethylpropane-1-sulfonic acid
SYSTEMATIC NAME: 2,2-dimethylpropane-1-sulfonic acid
MOLECULAR FORMULA: C5H12O3S
MOLECULAR WEIGHT: 152.21198
SMILES: CC(C)(C)CS(=O)(=O)O
Structure:
CAS RN: 5455-49-2
CAS Name: N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)-2,2-diphenylethanimidamide
OPENEYE Name: N,N-bis(2-hydroxyethyl)-2,2-diphenyl-N'-(p-tolyl)acetamidine
IUPAC Name: N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)-2,2-diphenylethanimidamide
SYSTEMATIC NAME: N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)-2,2-diphenyl-ethanimidamide
MOLECULAR FORMULA: C25H28N2O2
MOLECULAR WEIGHT: 388.50202
SMILES: CC1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)C3=CC=CC=C3)N(CCO)CCO
Structure:
CAS RN: 5455-40-3
CAS Name: N-[4-[4-(9-fluorenylideneamino)-3-methylphenyl]-2-methylphenyl]-9-fluorenimine
OPENEYE Name: N-[4-[4-(fluoren-9-ylideneamino)-3-methyl-phenyl]-2-methyl-phenyl]fluoren-9-imine
IUPAC Name: N-[4-[4-(fluoren-9-ylideneamino)-3-methylphenyl]-2-methylphenyl]fluoren-9-imine
SYSTEMATIC NAME: N-[4-[4-(fluoren-9-ylideneamino)-3-methyl-phenyl]-2-methyl-phenyl]fluoren-9-imine
MOLECULAR FORMULA: C40H28N2
MOLECULAR WEIGHT: 536.66372
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C3C4=CC=CC=C4C5=CC=CC=C53)C)N=C6C7=CC=CC=C7C8=CC=CC=C86
Structure:
CAS RN: 4415-83-2
CAS Name: cyclobutylmethanamine
OPENEYE Name: cyclobutylmethanamine
IUPAC Name: cyclobutylmethanamine
SYSTEMATIC NAME: cyclobutylmethanamine
MOLECULAR FORMULA: C5H11N
MOLECULAR WEIGHT: 85.14754
SMILES: C1CC(C1)CN
Structure:
CAS RN: 7148-84-7
CAS Name: chloro-[2-[4-(chloromercurio)-3-methoxycyclohexyl]-2-methoxyethyl]mercury
OPENEYE Name: chloro-[2-[4-(chloromercurio)-3-methoxy-cyclohexyl]-2-methoxy-ethyl]mercury
IUPAC Name: chloro-[2-[4-(chloromercurio)-3-methoxycyclohexyl]-2-methoxyethyl]mercury
SYSTEMATIC NAME: chloranyl-[2-[4-(chloranylmercurio)-3-methoxy-cyclohexyl]-2-methoxy-ethyl]mercury
MOLECULAR FORMULA: C10H18Cl2Hg2O2
MOLECULAR WEIGHT: 642.33472
SMILES: COC1CC(CCC1[Hg]Cl)C(C[Hg]Cl)OC
Structure:
CAS RN: 7401-91-4
CAS Name: chloro(3-methoxybutan-2-yl)mercury
OPENEYE Name: chloro-(2-methoxy-1-methyl-propyl)mercury
IUPAC Name: chloro(3-methoxybutan-2-yl)mercury
SYSTEMATIC NAME: chloranyl(3-methoxybutan-2-yl)mercury
MOLECULAR FORMULA: C5H11ClHgO
MOLECULAR WEIGHT: 323.18324
SMILES: CC(C(C)[Hg]Cl)OC
Structure:
CAS RN: 7146-49-8
CAS Name: chloro-[4-(chloromercurio)-2,3-dihydroxy-2-methylbutyl]mercury
OPENEYE Name: chloro-[4-(chloromercurio)-2,3-dihydroxy-2-methyl-butyl]mercury
IUPAC Name: chloro-[4-(chloromercurio)-2,3-dihydroxy-2-methylbutyl]mercury
SYSTEMATIC NAME: chloranyl-[4-(chloranylmercurio)-2-methyl-2,3-bis(oxidanyl)butyl]mercury
MOLECULAR FORMULA: C5H10Cl2Hg2O2
MOLECULAR WEIGHT: 574.2177
SMILES: CC(C[Hg]Cl)(C(C[Hg]Cl)O)O
Structure:
CAS RN: 6306-63-4
CAS Name: 2-[3-(dimethylamino)-2-methyl-1-oxopropyl]benzoic acid
OPENEYE Name: 2-[3-(dimethylamino)-2-methyl-propanoyl]benzoic acid
IUPAC Name: 2-[3-(dimethylamino)-2-methylpropanoyl]benzoic acid
SYSTEMATIC NAME: 2-[3-(dimethylamino)-2-methyl-propanoyl]benzoic acid
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: CC(CN(C)C)C(=O)C1=CC=CC=C1C(=O)O
Structure:
CAS RN: 6306-49-6
CAS Name: 2-phenyldiazenylpropanediimidamide
OPENEYE Name: 2-phenylazopropanediamidine
IUPAC Name: 2-phenyldiazenylpropanediimidamide
SYSTEMATIC NAME: 2-phenyldiazenylpropanediimidamide
MOLECULAR FORMULA: C9H12N6
MOLECULAR WEIGHT: 204.23178
SMILES: C1=CC=C(C=C1)N=NC(C(=N)N)C(=N)N
Structure:
CAS RN: 6306-41-8
CAS Name: 3-sulfopropanoic acid
OPENEYE Name: 3-sulfopropanoic acid
IUPAC Name: 3-sulfopropanoic acid
SYSTEMATIC NAME: 3-sulfopropanoic acid
MOLECULAR FORMULA: C3H6O5S
MOLECULAR WEIGHT: 154.14174
SMILES: C(CS(=O)(=O)O)C(=O)O
Structure:
CAS RN: 6306-52-1
CAS Name: 2-amino-3-methylbutanoic acid methyl ester
OPENEYE Name: methyl 2-amino-3-methyl-butanoate
IUPAC Name: methyl 2-amino-3-methylbutanoate
SYSTEMATIC NAME: methyl 2-azanyl-3-methyl-butanoate
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: CC(C)C(C(=O)OC)N
Structure:
CAS RN: 6949-59-3
CAS Name: iodo-[[6-(iodomercuriomethyl)-2-morpholinyl]methyl]mercury
OPENEYE Name: iodo-[[6-(iodomercuriomethyl)morpholin-2-yl]methyl]mercury
IUPAC Name: iodo-[[6-(iodomercuriomethyl)morpholin-2-yl]methyl]mercury
SYSTEMATIC NAME: iodanyl-[[6-(iodanylmercuriomethyl)morpholin-2-yl]methyl]mercury
MOLECULAR FORMULA: C6H11Hg2I2NO
MOLECULAR WEIGHT: 768.14658
SMILES: C1C(OC(CN1)C[Hg]I)C[Hg]I
Structure:
CAS RN: 6316-37-6
CAS Name: N'-(4-methylphenyl)-N-[[1-(4-methylphenyl)imino-2,2-diphenylethyl]amino]-2,2-diphenylethanimidamide
OPENEYE Name: N-[[C-benzhydryl-N-(p-tolyl)carbonimidoyl]amino]-2,2-diphenyl-N'-(p-tolyl)acetamidine
IUPAC Name: N-[[C-benzhydryl-N-(4-methylphenyl)carbonimidoyl]amino]-N'-(4-methylphenyl)-2,2-diphenylethanimidamide
SYSTEMATIC NAME: N-[[C-(diphenylmethyl)-N-(4-methylphenyl)carbonimidoyl]amino]-N'-(4-methylphenyl)-2,2-diphenyl-ethanimidamide
MOLECULAR FORMULA: C42H38N4
MOLECULAR WEIGHT: 598.77792
SMILES: CC1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)C3=CC=CC=C3)NNC(=NC4=CC=C(C=C4)C)C(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 4172-74-1
CAS Name: N'-(4-methylphenyl)-N,2,2-triphenylethanimidamide
OPENEYE Name: N,2,2-triphenyl-N'-(p-tolyl)acetamidine
IUPAC Name: N'-(4-methylphenyl)-N,2,2-triphenylethanimidamide
SYSTEMATIC NAME: N'-(4-methylphenyl)-N,2,2-triphenyl-ethanimidamide
MOLECULAR FORMULA: C27H24N2
MOLECULAR WEIGHT: 376.49286
SMILES: CC1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)C3=CC=CC=C3)NC4=CC=CC=C4
Structure:
CAS RN: 4172-73-0
CAS Name: N'-[3-(dimethylamino)propyl]-N-(4-methylphenyl)-2,2-diphenylethanimidamide
OPENEYE Name: N'-[3-(dimethylamino)propyl]-2,2-diphenyl-N-(p-tolyl)acetamidine
IUPAC Name: N'-[3-(dimethylamino)propyl]-N-(4-methylphenyl)-2,2-diphenylethanimidamide
SYSTEMATIC NAME: N'-[3-(dimethylamino)propyl]-N-(4-methylphenyl)-2,2-diphenyl-ethanimidamide
MOLECULAR FORMULA: C26H31N3
MOLECULAR WEIGHT: 385.54444
SMILES: CC1=CC=C(C=C1)NC(=NCCCN(C)C)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 4172-72-9
CAS Name: N-(4-methylphenyl)-2,2-diphenyl-1-(1-piperidinyl)ethanimine
OPENEYE Name: 2,2-diphenyl-1-(1-piperidyl)-N-(p-tolyl)ethanimine
IUPAC Name: N-(4-methylphenyl)-2,2-diphenyl-1-piperidin-1-ylethanimine
SYSTEMATIC NAME: N-(4-methylphenyl)-2,2-diphenyl-1-piperidin-1-yl-ethanimine
MOLECULAR FORMULA: C26H28N2
MOLECULAR WEIGHT: 368.51392
SMILES: CC1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCCC4
Structure:
CAS RN: 4172-89-8
CAS Name: N,N-diethyl-N'-(4-methylphenyl)-2,2-diphenylethanimidamide
OPENEYE Name: N,N-diethyl-2,2-diphenyl-N'-(p-tolyl)acetamidine
IUPAC Name: N,N-diethyl-N'-(4-methylphenyl)-2,2-diphenylethanimidamide
SYSTEMATIC NAME: N,N-diethyl-N'-(4-methylphenyl)-2,2-diphenyl-ethanimidamide
MOLECULAR FORMULA: C25H28N2
MOLECULAR WEIGHT: 356.50322
SMILES: CCN(CC)C(=NC1=CC=C(C=C1)C)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 7494-74-8
CAS Name: N,N-diethyl-N'-(4-methylphenyl)-2,2-diphenylethanimidamide
OPENEYE Name: N,N-diethyl-2,2-diphenyl-N'-(p-tolyl)acetamidine
IUPAC Name: N,N-diethyl-N'-(4-methylphenyl)-2,2-diphenylethanimidamide
SYSTEMATIC NAME: N,N-diethyl-N'-(4-methylphenyl)-2,2-diphenyl-ethanimidamide
MOLECULAR FORMULA: C25H28N2
MOLECULAR WEIGHT: 356.50322
SMILES: CCN(CC)C(=NC1=CC=C(C=C1)C)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 4210-30-4
CAS Name: N-(4-methylphenyl)-1-(4-morpholinyl)-2,2-diphenylethanimine
OPENEYE Name: 1-morpholino-2,2-diphenyl-N-(p-tolyl)ethanimine
IUPAC Name: N-(4-methylphenyl)-1-morpholin-4-yl-2,2-diphenylethanimine
SYSTEMATIC NAME: N-(4-methylphenyl)-1-morpholin-4-yl-2,2-diphenyl-ethanimine
MOLECULAR FORMULA: C25H26N2O
MOLECULAR WEIGHT: 370.48674
SMILES: CC1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)C3=CC=CC=C3)N4CCOCC4
Structure:
CAS RN: 6316-21-8
CAS Name: N-(dimethylamino)-N'-(4-methylphenyl)-2,2-diphenylethanimidamide
OPENEYE Name: N-(dimethylamino)-2,2-diphenyl-N'-(p-tolyl)acetamidine
IUPAC Name: N-(dimethylamino)-N'-(4-methylphenyl)-2,2-diphenylethanimidamide
SYSTEMATIC NAME: N-(dimethylamino)-N'-(4-methylphenyl)-2,2-diphenyl-ethanimidamide
MOLECULAR FORMULA: C23H25N3
MOLECULAR WEIGHT: 343.4647
SMILES: CC1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)C3=CC=CC=C3)NN(C)C
Structure:
CAS RN: 4172-88-7
CAS Name: N-amino-N'-(4-methylphenyl)-2,2-diphenylethanimidamide
OPENEYE Name: N-amino-2,2-diphenyl-N'-(p-tolyl)acetamidine
IUPAC Name: N-amino-N'-(4-methylphenyl)-2,2-diphenylethanimidamide
SYSTEMATIC NAME: N-azanyl-N'-(4-methylphenyl)-2,2-diphenyl-ethanimidamide
MOLECULAR FORMULA: C21H21N3
MOLECULAR WEIGHT: 315.41154
SMILES: CC1=CC=C(C=C1)N=C(C(C2=CC=CC=C2)C3=CC=CC=C3)NN
Structure:
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