CAS RN: 65941-26-6
CAS Name: 2-[acetyl-[2-amino-3-(cyclohexatrienyl)-1-oxopropyl]amino]-3-methylbutanoic acid
OPENEYE Name: 2-[acetyl-[2-amino-3-(cyclohexatrienyl)propanoyl]amino]-3-methyl-butanoic acid
IUPAC Name: 2-[acetyl-[2-amino-3-(cyclohexatrienyl)propanoyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[[2-azanyl-3-(cyclohexatrienyl)propanoyl]-ethanoyl-amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C16H21N2O4
MOLECULAR WEIGHT: 305.34894
SMILES: CC(C)C(C(=O)O)N(C(=O)C)C(=O)C(CC1=CC=CC=[C]1)N
CAS RN: 138805-33-1
CAS Name: N-acetyl-N-[4-methyl-3-(2-methylphenyl)azophenyl]acetamide
OPENEYE Name: N-acetyl-N-[4-methyl-3-(o-tolylazo)phenyl]acetamide
IUPAC Name: N-acetyl-N-[4-methyl-3-[(2-methylphenyl)diazenyl]phenyl]acetamide
SYSTEMATIC NAME: N-ethanoyl-N-[4-methyl-3-[(2-methylphenyl)diazenyl]phenyl]ethanamide
MOLECULAR FORMULA: C18H19N3O2
MOLECULAR WEIGHT: 309.36236
SMILES: CC1=C(C=C(C=C1)N(C(=O)C)C(=O)C)N=NC2=CC=CC=C2C
CAS RN: 138805-31-9
CAS Name: N-acetyl-N-[2-methyl-5-(4-methylphenyl)azophenyl]acetamide
OPENEYE Name: N-acetyl-N-[2-methyl-5-(p-tolylazo)phenyl]acetamide
IUPAC Name: N-acetyl-N-[2-methyl-5-[(4-methylphenyl)diazenyl]phenyl]acetamide
SYSTEMATIC NAME: N-ethanoyl-N-[2-methyl-5-[(4-methylphenyl)diazenyl]phenyl]ethanamide
MOLECULAR FORMULA: C18H19N3O2
MOLECULAR WEIGHT: 309.36236
SMILES: CC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)C)N(C(=O)C)C(=O)C
CAS RN: 87236-71-3
CAS Name: N,N-dibutylcarbamothioic acid O-[(8-hydroxy-7-quinolinyl)methyl] ester carbamothioate
OPENEYE Name: O-[(8-hydroxy-7-quinolyl)methyl] N,N-dibutylcarbamothioate carbamothioate
IUPAC Name: O-[(8-hydroxyquinolin-7-yl)methyl] N,N-dibutylcarbamothioate carbamothioate
SYSTEMATIC NAME: O-[(8-oxidanylquinolin-7-yl)methyl] N,N-dibutylcarbamothioate carbamothioate
MOLECULAR FORMULA: C20H28N3O3S2-
MOLECULAR WEIGHT: 422.58462
SMILES: CCCCN(CCCC)C(=S)OCC1=C(C2=C(C=CC=N2)C=C1)O.C(=S)(N)[O-]
CAS RN: 85938-58-5
CAS Name: N-propan-2-ylcarbamothioic acid O-butyl ester carbamothioate
OPENEYE Name: O-butyl N-isopropylcarbamothioate carbamothioate
IUPAC Name: O-butyl N-propan-2-ylcarbamothioate carbamothioate
SYSTEMATIC NAME: O-butyl N-propan-2-ylcarbamothioate carbamothioate
MOLECULAR FORMULA: C9H19N2O2S2-
MOLECULAR WEIGHT: 251.38936
SMILES: CCCCOC(=S)NC(C)C.C(=S)(N)[O-]
CAS RN: 1053657-35-4
CAS Name: 2-[4-(trifluoromethyl)phenyl]-4-thiazolone
OPENEYE Name: 2-[4-(trifluoromethyl)phenyl]thiazol-4-one
IUPAC Name: 2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one
SYSTEMATIC NAME: 2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-one
MOLECULAR FORMULA: C10H6F3NOS
MOLECULAR WEIGHT: 245.22095
SMILES: C1C(=O)N=C(S1)C2=CC=C(C=C2)C(F)(F)F
CAS RN: 1053657-30-9
CAS Name: 2-(4-fluorophenyl)-4-thiazolone
OPENEYE Name: 2-(4-fluorophenyl)thiazol-4-one
IUPAC Name: 2-(4-fluorophenyl)-1,3-thiazol-4-one
SYSTEMATIC NAME: 2-(4-fluorophenyl)-1,3-thiazol-4-one
MOLECULAR FORMULA: C9H6FNOS
MOLECULAR WEIGHT: 195.213443
SMILES: C1C(=O)N=C(S1)C2=CC=C(C=C2)F
CAS RN: 651723-92-1
CAS Name: 4-[4-(diaminomethylidene)-1-cyclohexa-2,5-dienylidene]-1-cyclohexa-2,5-dienone hydrochloride
OPENEYE Name: 4-[4-(diaminomethylene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-one hydrochloride
IUPAC Name: 4-[4-(diaminomethylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-one hydrochloride
SYSTEMATIC NAME: 4-[4-[bis(azanyl)methylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-one hydrochloride
MOLECULAR FORMULA: C13H13ClN2O
MOLECULAR WEIGHT: 248.70812
SMILES: C1=CC(=C(N)N)C=CC1=C2C=CC(=O)C=C2.Cl
CAS RN: 684647-62-9
CAS Name: (2S)-N-(2,6-dimethylphenyl)-1-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-piperidinecarboxamide
OPENEYE Name: (2S)-N-(2,6-dimethylphenyl)-1-(1,1,2,2,3,3,3-heptadeuteriopropyl)piperidine-2-carboxamide
IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-1-(1,1,2,2,3,3,3-heptadeuteriopropyl)piperidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-(2,6-dimethylphenyl)-1-(1,1,2,2,3,3,3-heptadeuteriopropyl)piperidine-2-carboxamide
MOLECULAR FORMULA: C17H26N2O
MOLECULAR WEIGHT: 281.444272
SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C
CAS RN: 1217667-10-1
CAS Name: (2S)-N-(2,6-dimethylphenyl)-1-(1,1,2,2,3,3,3-heptadeuteriopropyl)-2-piperidinecarboxamide hydrochloride
OPENEYE Name: (2S)-N-(2,6-dimethylphenyl)-1-(1,1,2,2,3,3,3-heptadeuteriopropyl)piperidine-2-carboxamide hydrochloride
IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-1-(1,1,2,2,3,3,3-heptadeuteriopropyl)piperidine-2-carboxamide hydrochloride
SYSTEMATIC NAME: (2S)-N-(2,6-dimethylphenyl)-1-(1,1,2,2,3,3,3-heptadeuteriopropyl)piperidine-2-carboxamide hydrochloride
MOLECULAR FORMULA: C17H27ClN2O
MOLECULAR WEIGHT: 317.905212
SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C.Cl
CAS RN: 1216984-85-8
CAS Name: benzoic acid; 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
OPENEYE Name: benzoic acid; 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
IUPAC Name: benzoic acid; 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
SYSTEMATIC NAME: benzoic acid; 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
MOLECULAR FORMULA: C22H25N5O2
MOLECULAR WEIGHT: 397.503171
SMILES: [2H]C([2H])([2H])N(CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3)C([2H])([2H])[2H].C1=CC=C(C=C1)C(=O)O
CAS RN: 1132661-86-9
CAS Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]-1-oxopropyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
OPENEYE Name: (2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-(2,3,4,5,6-pentadeuteriophenyl)propyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
IUPAC Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
SYSTEMATIC NAME: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C23H32N2O5
MOLECULAR WEIGHT: 421.541389
SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O)[2H])[2H]
CAS RN: 1216494-11-9
CAS Name: sodium 2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]-2-pyridinyl]methylsulfinyl]benzimidazol-1-ide
OPENEYE Name: sodium 2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]-2-pyridyl]methylsulfinyl]benzimidazol-1-ide
IUPAC Name: sodium 2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]pyridin-2-yl]methylsulfinyl]benzimidazol-1-ide
SYSTEMATIC NAME: sodium 2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]pyridin-2-yl]methylsulfinyl]benzimidazol-1-ide
MOLECULAR FORMULA: C18H20N3NaO3S
MOLECULAR WEIGHT: 384.442955
SMILES: [2H]C([2H])([2H])OCCCOC1=C(C(=NC=C1)CS(=O)C2=NC3=CC=CC=C3[N-]2)C.[Na+]
CAS RN: 929211-64-3
CAS Name: (2Z)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-3-piperidinylidene]acetic acid
OPENEYE Name: (2Z)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3-piperidylidene]acetic acid
IUPAC Name: (2Z)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylpiperidin-3-ylidene]acetic acid
SYSTEMATIC NAME: (2Z)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]-4-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-piperidin-3-ylidene]ethanoic acid
MOLECULAR FORMULA: C27H28FNO5S
MOLECULAR WEIGHT: 497.578323
SMILES: COC1=CC=CC(=C1)C(=O)CSC\2CCN(C/C2=C/C(=O)O)C(C3=CC=CC=C3F)C(=O)C4CC4
CAS RN: 1189919-49-0
CAS Name: acetic acid [5-[1-(2-fluorophenyl)-2-oxo-2-(2,2,3,3-tetradeuteriocyclopropyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] ester
OPENEYE Name: [5-[1-(2-fluorophenyl)-2-oxo-2-(2,2,3,3-tetradeuteriocyclopropyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
IUPAC Name: [5-[1-(2-fluorophenyl)-2-oxo-2-(2,2,3,3-tetradeuteriocyclopropyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
SYSTEMATIC NAME: [5-[1-(2-fluorophenyl)-2-oxidanylidene-2-(2,2,3,3-tetradeuteriocyclopropyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] ethanoate
MOLECULAR FORMULA: C20H20FNO3S
MOLECULAR WEIGHT: 377.46575
SMILES: [2H]C1(C(C1([2H])[2H])C(=O)C(C2=CC=CC=C2F)N3CCC4=C(C3)C=C(S4)OC(=O)C)[2H]
CAS RN: 942047-64-5
CAS Name: (3E)-3-[hydroxy-(2-pyridinylamino)methylidene]-1,1-dioxo-2-(trideuteriomethyl)-1$l^{6},2-benzothiazin-4-one
OPENEYE Name: (3E)-3-[hydroxy-(2-pyridylamino)methylene]-1,1-dioxo-2-(trideuteriomethyl)-1$l^{6},2-benzothiazin-4-one
IUPAC Name: (3E)-3-[hydroxy-(pyridin-2-ylamino)methylidene]-1,1-dioxo-2-(trideuteriomethyl)-1$l^{6},2-benzothiazin-4-one
SYSTEMATIC NAME: (3E)-1,1-bis(oxidanylidene)-3-[oxidanyl-(pyridin-2-ylamino)methylidene]-2-(trideuteriomethyl)-1$l^{6},2-benzothiazin-4-one
MOLECULAR FORMULA: C15H13N3O4S
MOLECULAR WEIGHT: 334.364905
SMILES: [2H]C([2H])([2H])N1/C(=C(\NC2=CC=CC=N2)/O)/C(=O)C3=CC=CC=C3S1(=O)=O
CAS RN: 1189961-11-2
CAS Name: 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-2,2,3,3,5,5,6,6-octadeuterio-1-piperazinyl]ethanol
OPENEYE Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]-2,2,3,3,5,5,6,6-octadeuterio-piperazin-1-yl]ethanol
IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]ethanol
SYSTEMATIC NAME: 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]-2,2,3,3,5,5,6,6-octadeuterio-piperazin-1-yl]ethanol
MOLECULAR FORMULA: C21H26ClN3OS
MOLECULAR WEIGHT: 412.017934
SMILES: [2H]C1(C(N(C(C(N1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)([2H])[2H])([2H])[2H])CCO)([2H])[2H])[2H]
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