Product OPENEYE NAME: 1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
CAS Name: 1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
IUPAC NAME: 1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
SYSTEMATIC NAME: 1H-benzimidazol-2-yl-(4-chlorophenyl)methanol
MOLECULAR FORMULA: C14H11ClN2O
MOLECULAR WEIGHT: 258.70294
SMILES: C1=CC=C2C(=C1)NC(=N2)C(C3=CC=C(C=C3)Cl)O
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Product OPENEYE NAME: 4,4,4-trinitrobutanoic acid
CAS Name: 4,4,4-trinitrobutanoic acid
IUPAC NAME: 4,4,4-trinitrobutanoic acid
SYSTEMATIC NAME: 4,4,4-trinitrobutanoic acid
MOLECULAR FORMULA: C4H5N3O8
MOLECULAR WEIGHT: 223.0978
SMILES: C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)O
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Product OPENEYE NAME: 4-pyridylmethyl N-(3,4,5-trimethoxyphenyl)carbamate
CAS Name: N-(3,4,5-trimethoxyphenyl)carbamic acid pyridin-4-ylmethyl ester
IUPAC NAME: pyridin-4-ylmethyl N-(3,4,5-trimethoxyphenyl)carbamate
SYSTEMATIC NAME: pyridin-4-ylmethyl N-(3,4,5-trimethoxyphenyl)carbamate
MOLECULAR FORMULA: C16H18N2O5
MOLECULAR WEIGHT: 318.32452
SMILES: COC1=CC(=CC(=C1OC)OC)NC(=O)OCC2=CC=NC=C2
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Product OPENEYE NAME: 2,3-bis(4-methoxyphenyl)-1H-indole
CAS Name: 2,3-bis(4-methoxyphenyl)-1H-indole
IUPAC NAME: 2,3-bis(4-methoxyphenyl)-1H-indole
SYSTEMATIC NAME: 2,3-bis(4-methoxyphenyl)-1H-indole
MOLECULAR FORMULA: C22H19NO2
MOLECULAR WEIGHT: 329.39176
SMILES: COC1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 1-(2-hydroxyethyl)-3-[(5-nitro-2-furyl)methyleneamino]imidazolidin-2-one
CAS Name: 1-(2-hydroxyethyl)-3-[(5-nitro-2-furanyl)methylideneamino]-2-imidazolidinone
IUPAC NAME: 1-(2-hydroxyethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one
SYSTEMATIC NAME: 1-(2-hydroxyethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one
MOLECULAR FORMULA: C10H12N4O5
MOLECULAR WEIGHT: 268.22608
SMILES: C1CN(C(=O)N1CCO)N=CC2=CC=C(O2)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(2-chloroethyl)-3-[(5-nitro-2-furyl)methyleneamino]imidazolidin-2-one
CAS Name: 1-(2-chloroethyl)-3-[(5-nitro-2-furanyl)methylideneamino]-2-imidazolidinone
IUPAC NAME: 1-(2-chloroethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one
MOLECULAR FORMULA: C10H11ClN4O4
MOLECULAR WEIGHT: 286.67174
SMILES: C1CN(C(=O)N1CCCl)N=CC2=CC=C(O2)[N+](=O)[O-]
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Product OPENEYE NAME: isobutylammonium chloride
CAS Name: 2-methylpropylammonium chloride
IUPAC NAME: 2-methylpropylazanium chloride
SYSTEMATIC NAME: 2-methylpropylazanium chloride
MOLECULAR FORMULA: C4H12ClN
MOLECULAR WEIGHT: 109.59778
SMILES: CC(C)C[NH3+].[Cl-]
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Product OPENEYE NAME: 5-nitrobenzene-1,3-diamine
CAS Name: 5-nitrobenzene-1,3-diamine
IUPAC NAME: 5-nitrobenzene-1,3-diamine
SYSTEMATIC NAME: 5-nitrobenzene-1,3-diamine
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: C1=C(C=C(C=C1N)[N+](=O)[O-])N
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Product OPENEYE NAME: (1S,2S)-2-(cyclohexoxy)cyclopropanamine
CAS Name: (1S,2S)-2-cyclohexyloxy-1-cyclopropanamine
IUPAC NAME: (1S,2S)-2-cyclohexyloxycyclopropan-1-amine
SYSTEMATIC NAME: (1S,2S)-2-cyclohexyloxycyclopropan-1-amine
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: C1CCC(CC1)O[C@H]2C[C@@H]2N
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Product OPENEYE NAME: 2-[4-[2-[2-(1-naphthyl)propanoyloxy]ethyl]piperazin-1-yl]ethyl 2-(1-naphthyl)propanoate dihydrochloride
CAS Name: 2-(1-naphthalenyl)propanoic acid 2-[4-[2-[2-(1-naphthalenyl)-1-oxopropoxy]ethyl]-1-piperazinyl]ethyl ester dihydrochloride
IUPAC NAME: 2-[4-[2-(2-naphthalen-1-ylpropanoyloxy)ethyl]piperazin-1-yl]ethyl 2-naphthalen-1-ylpropanoate dihydrochloride
SYSTEMATIC NAME: 2-[4-[2-(2-naphthalen-1-ylpropanoyloxy)ethyl]piperazin-1-yl]ethyl 2-naphthalen-1-ylpropanoate dihydrochloride
MOLECULAR FORMULA: C34H40Cl2N2O4
MOLECULAR WEIGHT: 611.5984
SMILES: CC(C1=CC=CC2=CC=CC=C21)C(=O)OCCN3CCN(CC3)CCOC(=O)C(C)C4=CC=CC5=CC=CC=C54.Cl.Cl
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Product OPENEYE NAME: 2-[4-[2-[2-(1-naphthyl)propanoyloxy]ethyl]piperazin-1-yl]ethyl 2-(1-naphthyl)propanoate
CAS Name: 2-(1-naphthalenyl)propanoic acid 2-[4-[2-[2-(1-naphthalenyl)-1-oxopropoxy]ethyl]-1-piperazinyl]ethyl ester
IUPAC NAME: 2-[4-[2-(2-naphthalen-1-ylpropanoyloxy)ethyl]piperazin-1-yl]ethyl 2-naphthalen-1-ylpropanoate
SYSTEMATIC NAME: 2-[4-[2-(2-naphthalen-1-ylpropanoyloxy)ethyl]piperazin-1-yl]ethyl 2-naphthalen-1-ylpropanoate
MOLECULAR FORMULA: C34H38N2O4
MOLECULAR WEIGHT: 538.67652
SMILES: CC(C1=CC=CC2=CC=CC=C21)C(=O)OCCN3CCN(CC3)CCOC(=O)C(C)C4=CC=CC5=CC=CC=C54
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Product OPENEYE NAME: (2R)-1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol
CAS Name: (2R)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-propanol
IUPAC NAME: (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: (2R)-1-(isopropylamino)-3-(1-naphthoxy)propan-2-ol
SMILES: CC(C)NC[C@H](COC1=CC=CC2=CC=CC=C21)O
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Product OPENEYE NAME: 2-[2-hydroxyethyl-[2-(5-nitro-2-furyl)quinazolin-4-yl]amino]ethanol
CAS Name: 2-[2-hydroxyethyl-[2-(5-nitro-2-furanyl)-4-quinazolinyl]amino]ethanol
IUPAC NAME: 2-[2-hydroxyethyl-[2-(5-nitrofuran-2-yl)quinazolin-4-yl]amino]ethanol
SYSTEMATIC NAME: 2-[2-hydroxyethyl-[2-(5-nitrofuran-2-yl)quinazolin-4-yl]amino]ethanol
MOLECULAR FORMULA: C16H16N4O5
MOLECULAR WEIGHT: 344.32204
SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(O3)[N+](=O)[O-])N(CCO)CCO
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Product OPENEYE NAME: 2-(1H-indol-3-yl)-2-oxo-acetohydrazide
CAS Name: 2-(1H-indol-3-yl)-2-oxoacetohydrazide
IUPAC NAME: 2-(1H-indol-3-yl)-2-oxoacetohydrazide
SYSTEMATIC NAME: 2-(1H-indol-3-yl)-2-oxidanylidene-ethanehydrazide
MOLECULAR FORMULA: C10H9N3O2
MOLECULAR WEIGHT: 203.19736
SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NN
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Product OPENEYE NAME: 2-(1H-indol-3-yl)-N',N'-dimethyl-2-oxo-acetohydrazide
CAS Name: 2-(1H-indol-3-yl)-N',N'-dimethyl-2-oxoacetohydrazide
IUPAC NAME: 2-(1H-indol-3-yl)-N',N'-dimethyl-2-oxoacetohydrazide
SYSTEMATIC NAME: 2-(1H-indol-3-yl)-N',N'-dimethyl-2-oxidanylidene-ethanehydrazide
MOLECULAR FORMULA: C12H13N3O2
MOLECULAR WEIGHT: 231.25052
SMILES: CN(C)NC(=O)C(=O)C1=CNC2=CC=CC=C21
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Product OPENEYE NAME: dimethyl (2S,3S)-2,3-dihydroxybutanedioate
CAS Name: (2S,3S)-2,3-dihydroxybutanedioic acid dimethyl ester
IUPAC NAME: dimethyl (2S,3S)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: dimethyl (2S,3S)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C6H10O6
MOLECULAR WEIGHT: 178.14
SMILES: COC(=O)[C@H]([C@@H](C(=O)OC)O)O
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Product OPENEYE NAME: 3-(4-hydroxy-2-methyl-phenyl)-2-methyl-quinazolin-4-one
CAS Name: 3-(4-hydroxy-2-methylphenyl)-2-methyl-4-quinazolinone
IUPAC NAME: 3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
SYSTEMATIC NAME: 2-methyl-3-(2-methyl-4-oxidanyl-phenyl)quinazolin-4-one
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: CC1=C(C=CC(=C1)O)N2C(=NC3=CC=CC=C3C2=O)C
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Product OPENEYE NAME: trimethyl-[2-[3-[1-methyl-2-(trimethylammonio)ethyl]phenyl]propyl]ammonium dibromide
CAS Name: trimethyl-[2-[3-[1-(trimethylammonio)propan-2-yl]phenyl]propyl]ammonium dibromide
IUPAC NAME: trimethyl-[2-[3-[1-(trimethylazaniumyl)propan-2-yl]phenyl]propyl]azanium dibromide
SYSTEMATIC NAME: trimethyl-[2-[3-[1-(trimethylazaniumyl)propan-2-yl]phenyl]propyl]azanium dibromide
MOLECULAR FORMULA: C18H34Br2N2
MOLECULAR WEIGHT: 438.28396
SMILES: CC(C[N+](C)(C)C)C1=CC(=CC=C1)C(C)C[N+](C)(C)C.[Br-].[Br-]
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Product OPENEYE NAME: trimethyl-[2-[3-[1-methyl-2-(trimethylammonio)ethyl]phenyl]propyl]ammonium
CAS Name: trimethyl-[2-[3-[1-(trimethylammonio)propan-2-yl]phenyl]propyl]ammonium
IUPAC NAME: trimethyl-[2-[3-[1-(trimethylazaniumyl)propan-2-yl]phenyl]propyl]azanium
SYSTEMATIC NAME: trimethyl-[2-[3-[1-(trimethylazaniumyl)propan-2-yl]phenyl]propyl]azanium
MOLECULAR FORMULA: C18H34N2+2
MOLECULAR WEIGHT: 278.47596
SMILES: CC(C[N+](C)(C)C)C1=CC(=CC=C1)C(C)C[N+](C)(C)C
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