CAS RN: 59520-70-6
CAS Name: N-(2,6-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride
OPENEYE Name: N-(2,6-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride
IUPAC Name: N-(2,6-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine hydrochloride
MOLECULAR FORMULA: C11H16ClN3
MOLECULAR WEIGHT: 225.71784
SMILES: CC1=C(C(=CC=C1)C)NC2=NCCN2.Cl
Structure:
CAS RN: 59465-55-3
CAS Name: 1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-amine
OPENEYE Name: 1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-amine
IUPAC Name: 1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-amine
SYSTEMATIC NAME: 1-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-amine
MOLECULAR FORMULA: C12H17N3
MOLECULAR WEIGHT: 203.28348
SMILES: CC1=CC(=C(C(=C1)C)N2CCN=C2N)C
Structure:
CAS RN: 59397-29-4
CAS Name: 1-(2-methyl-1-phenylcyclohexyl)piperidine
OPENEYE Name: 1-(2-methyl-1-phenyl-cyclohexyl)piperidine
IUPAC Name: 1-(2-methyl-1-phenylcyclohexyl)piperidine
SYSTEMATIC NAME: 1-(2-methyl-1-phenyl-cyclohexyl)piperidine
MOLECULAR FORMULA: C18H27N
MOLECULAR WEIGHT: 257.41368
SMILES: CC1CCCCC1(C2=CC=CC=C2)N3CCCCC3
Structure:
CAS RN: 59312-73-1
CAS Name: sodium 5-amino-4-methoxy-2-nitrobenzenesulfonate
OPENEYE Name: sodium 5-amino-4-methoxy-2-nitro-benzenesulfonate
IUPAC Name: sodium 5-amino-4-methoxy-2-nitrobenzenesulfonate
SYSTEMATIC NAME: sodium 5-azanyl-4-methoxy-2-nitro-benzenesulfonate
MOLECULAR FORMULA: C7H7N2NaO6S
MOLECULAR WEIGHT: 270.19505
SMILES: COC1=CC(=C(C=C1N)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
Structure:
CAS RN: 59083-35-1
CAS Name: 4-phenyl-4-piperidinecarboxamide hydrochloride
OPENEYE Name: 4-phenylpiperidine-4-carboxamide hydrochloride
IUPAC Name: 4-phenylpiperidine-4-carboxamide hydrochloride
SYSTEMATIC NAME: 4-phenylpiperidine-4-carboxamide hydrochloride
MOLECULAR FORMULA: C12H17ClN2O
MOLECULAR WEIGHT: 240.72918
SMILES: C1CNCCC1(C2=CC=CC=C2)C(=O)N.Cl
Structure:
CAS RN: 58564-96-8
CAS Name: (3-chloro-2-hydroxypropyl)-dimethyl-[2-(2-methyl-1-oxoprop-2-enoxy)ethyl]ammonium chloride
OPENEYE Name: (3-chloro-2-hydroxy-propyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]ammonium chloride
IUPAC Name: (3-chloro-2-hydroxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
SYSTEMATIC NAME: (3-chloranyl-2-oxidanyl-propyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
MOLECULAR FORMULA: C11H21Cl2NO3
MOLECULAR WEIGHT: 286.19534
SMILES: CC(=C)C(=O)OCC[N+](C)(C)CC(CCl)O.[Cl-]
Structure:
CAS RN: 58498-15-0
CAS Name: 4-[2-(3-chlorophenyl)-2-hydroxy-1-(2-pyridinyl)propyl]phenol
OPENEYE Name: 4-[2-(3-chlorophenyl)-2-hydroxy-1-(2-pyridyl)propyl]phenol
IUPAC Name: 4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol
SYSTEMATIC NAME: 4-[2-(3-chlorophenyl)-2-oxidanyl-1-pyridin-2-yl-propyl]phenol
MOLECULAR FORMULA: C20H18ClNO2
MOLECULAR WEIGHT: 339.81542
SMILES: CC(C1=CC(=CC=C1)Cl)(C(C2=CC=C(C=C2)O)C3=CC=CC=N3)O
Structure:
CAS RN: 58495-06-0
CAS Name: N-(3-tert-butylphenyl)-2-methylbenzamide
OPENEYE Name: N-(3-tert-butylphenyl)-2-methyl-benzamide
IUPAC Name: N-(3-tert-butylphenyl)-2-methylbenzamide
SYSTEMATIC NAME: N-(3-tert-butylphenyl)-2-methyl-benzamide
MOLECULAR FORMULA: C18H21NO
MOLECULAR WEIGHT: 267.36544
SMILES: CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)C(C)(C)C
Structure:
CAS RN: 58494-89-6
CAS Name: 2-iodo-N-(3-propan-2-yloxyphenyl)benzamide
OPENEYE Name: 2-iodo-N-(3-isopropoxyphenyl)benzamide
IUPAC Name: 2-iodo-N-(3-propan-2-yloxyphenyl)benzamide
SYSTEMATIC NAME: 2-iodanyl-N-(3-propan-2-yloxyphenyl)benzamide
MOLECULAR FORMULA: C16H16INO2
MOLECULAR WEIGHT: 381.20821
SMILES: CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2I
Structure:
CAS RN: 58480-38-9
CAS Name: sodium 3-(4-nitrophenoxy)-1-propanesulfonate
OPENEYE Name: sodium 3-(4-nitrophenoxy)propane-1-sulfonate
IUPAC Name: sodium 3-(4-nitrophenoxy)propane-1-sulfonate
SYSTEMATIC NAME: sodium 3-(4-nitrophenoxy)propane-1-sulfonate
MOLECULAR FORMULA: C9H10NNaO6S
MOLECULAR WEIGHT: 283.23357
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCCCS(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 58470-00-1
CAS Name: 12-(4-azido-2-nitrophenoxy)octadecanoic acid
OPENEYE Name: 12-(4-azido-2-nitro-phenoxy)octadecanoic acid
IUPAC Name: 12-(4-azido-2-nitrophenoxy)octadecanoic acid
SYSTEMATIC NAME: 12-(4-azido-2-nitro-phenoxy)octadecanoic acid
MOLECULAR FORMULA: C24H38N4O5
MOLECULAR WEIGHT: 462.58232
SMILES: CCCCCCC(CCCCCCCCCCC(=O)O)OC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-]
Structure:
CAS RN: 58296-58-5
CAS Name: 2-cyanoguanidine hydrochloride
OPENEYE Name: 2-cyanoguanidine hydrochloride
IUPAC Name: 2-cyanoguanidine hydrochloride
SYSTEMATIC NAME: 2-cyanoguanidine hydrochloride
MOLECULAR FORMULA: C2H5ClN4
MOLECULAR WEIGHT: 120.5409
SMILES: C(#N)N=C(N)N.Cl
Structure:
CAS RN: 58278-20-9
CAS Name: N-decyl-2-methylbenzamide
OPENEYE Name: N-decyl-2-methyl-benzamide
IUPAC Name: N-decyl-2-methylbenzamide
SYSTEMATIC NAME: N-decyl-2-methyl-benzamide
MOLECULAR FORMULA: C18H29NO
MOLECULAR WEIGHT: 275.42896
SMILES: CCCCCCCCCCNC(=O)C1=CC=CC=C1C
Structure:
CAS RN: 58278-06-1
CAS Name: N-hexyl-2-methylbenzamide
OPENEYE Name: N-hexyl-2-methyl-benzamide
IUPAC Name: N-hexyl-2-methylbenzamide
SYSTEMATIC NAME: N-hexyl-2-methyl-benzamide
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: CCCCCCNC(=O)C1=CC=CC=C1C
Structure:
CAS RN: 58271-36-6
CAS Name: 3-(2,4-dimethylanilino)-3-oxopropanoic acid ethyl ester
OPENEYE Name: ethyl 3-(2,4-dimethylanilino)-3-oxo-propanoate
IUPAC Name: ethyl 3-(2,4-dimethylanilino)-3-oxopropanoate
SYSTEMATIC NAME: ethyl 3-[(2,4-dimethylphenyl)amino]-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: CCOC(=O)CC(=O)NC1=C(C=C(C=C1)C)C
Structure:
CAS RN: 58260-69-8
CAS Name: 2-(1-piperazinyl)phenol dihydrobromide
OPENEYE Name: 2-piperazin-1-ylphenol dihydrobromide
IUPAC Name: 2-piperazin-1-ylphenol dihydrobromide
SYSTEMATIC NAME: 2-piperazin-1-ylphenol dihydrobromide
MOLECULAR FORMULA: C10H16Br2N2O
MOLECULAR WEIGHT: 340.05484
SMILES: C1CN(CCN1)C2=CC=CC=C2O.Br.Br
Structure:
CAS RN: 58160-96-6
CAS Name: 2-amino-2-(1-methylcyclopropyl)acetic acid
OPENEYE Name: 2-amino-2-(1-methylcyclopropyl)acetic acid
IUPAC Name: 2-amino-2-(1-methylcyclopropyl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(1-methylcyclopropyl)ethanoic acid
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: CC1(CC1)C(C(=O)O)N
Structure:
CAS RN: 58016-32-3
CAS Name: 3-methoxy-5-pentyl-1-cyclohex-2-enone
OPENEYE Name: 3-methoxy-5-pentyl-cyclohex-2-en-1-one
IUPAC Name: 3-methoxy-5-pentylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-methoxy-5-pentyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: CCCCCC1CC(=CC(=O)C1)OC
Structure:
CAS RN: 57992-89-9
CAS Name: 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid
OPENEYE Name: 2-(3-chloro-4-cyclohexyl-phenyl)-2-hydroxy-acetic acid
IUPAC Name: 2-(3-chloro-4-cyclohexylphenyl)-2-hydroxyacetic acid
SYSTEMATIC NAME: 2-(3-chloranyl-4-cyclohexyl-phenyl)-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C14H17ClO3
MOLECULAR WEIGHT: 268.73598
SMILES: C1CCC(CC1)C2=C(C=C(C=C2)C(C(=O)O)O)Cl
Structure:
CAS RN: 57945-70-7
CAS Name: bis(3-decoxy-2-hydroxypropyl)-dimethylammonium chloride
OPENEYE Name: bis(3-decoxy-2-hydroxy-propyl)-dimethyl-ammonium chloride
IUPAC Name: bis(3-decoxy-2-hydroxypropyl)-dimethylazanium chloride
SYSTEMATIC NAME: bis(3-decoxy-2-oxidanyl-propyl)-dimethyl-azanium chloride
MOLECULAR FORMULA: C28H60ClNO4
MOLECULAR WEIGHT: 510.2333
SMILES: CCCCCCCCCCOCC(C[N+](C)(C)CC(COCCCCCCCCCC)O)O.[Cl-]
Structure:
CAS RN: 57855-18-2
CAS Name: 2-butyl-6-methoxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-butyl-6-methoxy-1,4-benzoquinone
IUPAC Name: 2-butyl-6-methoxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-butyl-6-methoxy-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CCCCC1=CC(=O)C=C(C1=O)OC
Structure:
CAS RN: 57738-65-5
CAS Name: dimethyl-(2,2,2-trifluoro-1-oxoethoxy)sulfonium
OPENEYE Name: dimethyl-(2,2,2-trifluoroacetyl)oxy-sulfonium
IUPAC Name: dimethyl-(2,2,2-trifluoroacetyl)oxysulfanium
SYSTEMATIC NAME: dimethyl-[2,2,2-tris(fluoranyl)ethanoyloxy]sulfanium
MOLECULAR FORMULA: C4H6F3O2S+
MOLECULAR WEIGHT: 175.14945
SMILES: C[S+](C)OC(=O)C(F)(F)F
Structure:
CAS RN: 57712-94-4
CAS Name: 1-[2-methyl-4-(2-methylphenyl)azophenyl]azo-N-tridecyl-2-naphthalenamine
OPENEYE Name: 1-[2-methyl-4-(o-tolylazo)phenyl]azo-N-tridecyl-naphthalen-2-amine
IUPAC Name: 1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]-N-tridecylnaphthalen-2-amine
SYSTEMATIC NAME: 1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]-N-tridecyl-naphthalen-2-amine
MOLECULAR FORMULA: C37H47N5
MOLECULAR WEIGHT: 561.80258
SMILES: CCCCCCCCCCCCCNC1=C(C2=CC=CC=C2C=C1)N=NC3=C(C=C(C=C3)N=NC4=CC=CC=C4C)C
Structure:
CAS RN: 57637-97-5
CAS Name: acetamidomethylphosphonic acid
OPENEYE Name: acetamidomethylphosphonic acid
IUPAC Name: acetamidomethylphosphonic acid
SYSTEMATIC NAME: acetamidomethylphosphonic acid
MOLECULAR FORMULA: C3H8NO4P
MOLECULAR WEIGHT: 153.073681
SMILES: CC(=O)NCP(=O)(O)O
Structure:
CAS RN: 57470-04-9
CAS Name: N-(4-chlorophenyl)-N-hydroxyformamide
OPENEYE Name: N-(4-chlorophenyl)-N-hydroxy-formamide
IUPAC Name: N-(4-chlorophenyl)-N-hydroxyformamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-N-oxidanyl-methanamide
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: C1=CC(=CC=C1N(C=O)O)Cl
Structure:
CAS RN: 57442-24-7
CAS Name: 1,3-diethyl-2-nitrobenzene
OPENEYE Name: 1,3-diethyl-2-nitro-benzene
IUPAC Name: 1,3-diethyl-2-nitrobenzene
SYSTEMATIC NAME: 1,3-diethyl-2-nitro-benzene
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: CCC1=C(C(=CC=C1)CC)[N+](=O)[O-]
Structure:
CAS RN: 57409-54-8
CAS Name: 2,3-dibromo-2-methyl-1-propanol
OPENEYE Name: 2,3-dibromo-2-methyl-propan-1-ol
IUPAC Name: 2,3-dibromo-2-methylpropan-1-ol
SYSTEMATIC NAME: 2,3-bis(bromanyl)-2-methyl-propan-1-ol
MOLECULAR FORMULA: C4H8Br2O
MOLECULAR WEIGHT: 231.91372
SMILES: CC(CO)(CBr)Br
Structure:
CAS RN: 57402-36-5
CAS Name: docosanal
OPENEYE Name: docosanal
IUPAC Name: docosanal
SYSTEMATIC NAME: docosanal
MOLECULAR FORMULA: C22H44O
MOLECULAR WEIGHT: 324.58416
SMILES: CCCCCCCCCCCCCCCCCCCCCC=O
Structure:
CAS RN: 57160-56-2
CAS Name: 2,6-difluoro-N-[(4-nitroanilino)-oxomethyl]benzamide
OPENEYE Name: 2,6-difluoro-N-[(4-nitrophenyl)carbamoyl]benzamide
IUPAC Name: 2,6-difluoro-N-[(4-nitrophenyl)carbamoyl]benzamide
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-N-[(4-nitrophenyl)carbamoyl]benzamide
MOLECULAR FORMULA: C14H9F2N3O4
MOLECULAR WEIGHT: 321.235766
SMILES: C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])F
Structure:
CAS RN: 57160-54-0
CAS Name: 2,6-difluoro-N-[(4-methylanilino)-oxomethyl]benzamide
OPENEYE Name: 2,6-difluoro-N-(p-tolylcarbamoyl)benzamide
IUPAC Name: 2,6-difluoro-N-[(4-methylphenyl)carbamoyl]benzamide
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-N-[(4-methylphenyl)carbamoyl]benzamide
MOLECULAR FORMULA: C15H12F2N2O2
MOLECULAR WEIGHT: 290.264786
SMILES: CC1=CC=C(C=C1)NC(=O)NC(=O)C2=C(C=CC=C2F)F
Structure:
CAS RN: 57160-53-9
CAS Name: N-[anilino(oxo)methyl]-2,6-difluorobenzamide
OPENEYE Name: 2,6-difluoro-N-(phenylcarbamoyl)benzamide
IUPAC Name: 2,6-difluoro-N-(phenylcarbamoyl)benzamide
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-N-(phenylcarbamoyl)benzamide
MOLECULAR FORMULA: C14H10F2N2O2
MOLECULAR WEIGHT: 276.238206
SMILES: C1=CC=C(C=C1)NC(=O)NC(=O)C2=C(C=CC=C2F)F
Structure:
CAS RN: 60662-17-1
CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid 3-pyridinylmethyl ester hydrochloride
OPENEYE Name: 3-pyridylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate hydrochloride
IUPAC Name: pyridin-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate hydrochloride
SYSTEMATIC NAME: pyridin-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate hydrochloride
MOLECULAR FORMULA: C24H25Cl2NO3
MOLECULAR WEIGHT: 446.3662
SMILES: CCC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl.Cl
Structure:
CAS RN: 57081-66-0
CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid 3-pyridinylmethyl ester hydrochloride
OPENEYE Name: 3-pyridylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate hydrochloride
IUPAC Name: pyridin-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate hydrochloride
SYSTEMATIC NAME: pyridin-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate hydrochloride
MOLECULAR FORMULA: C24H25Cl2NO3
MOLECULAR WEIGHT: 446.3662
SMILES: CCC(C)(C(=O)OCC1=CN=CC=C1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl.Cl
Structure:
CAS RN: 56926-39-7
CAS Name: 6-phenyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
OPENEYE Name: 6-phenylchromane-2-carboxylic acid
IUPAC Name: 6-phenyl-3,4-dihydro-2H-chromene-2-carboxylic acid
SYSTEMATIC NAME: 6-phenyl-3,4-dihydro-2H-chromene-2-carboxylic acid
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: C1CC2=C(C=CC(=C2)C3=CC=CC=C3)OC1C(=O)O
Structure:
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