CAS RN: 690632-83-8
CAS Name: 4-(chloromethyl)-2-(3-chlorophenyl)thiazole hydrochloride
OPENEYE Name: 4-(chloromethyl)-2-(3-chlorophenyl)thiazole hydrochloride
IUPAC Name: 4-(chloromethyl)-2-(3-chlorophenyl)-1,3-thiazole hydrochloride
SYSTEMATIC NAME: 4-(chloromethyl)-2-(3-chlorophenyl)-1,3-thiazole hydrochloride
MOLECULAR FORMULA: C10H8Cl3NS
MOLECULAR WEIGHT: 280.60122
SMILES: C1=CC(=CC(=C1)Cl)C2=NC(=CS2)CCl.Cl
Structure:
CAS RN: 183428-90-2
CAS Name: 6-amino-2-methyl-3-pyridinecarbonitrile
OPENEYE Name: 6-amino-2-methyl-pyridine-3-carbonitrile
IUPAC Name: 6-amino-2-methylpyridine-3-carbonitrile
SYSTEMATIC NAME: 6-azanyl-2-methyl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C7H7N3
MOLECULAR WEIGHT: 133.15058
SMILES: CC1=C(C=CC(=N1)N)C#N
Structure:
CAS RN: 220298-96-4
CAS Name: N-[4-(aminomethyl)phenyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[4-(aminomethyl)phenyl]carbamate
IUPAC Name: tert-butyl N-[4-(aminomethyl)phenyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[4-(aminomethyl)phenyl]carbamate
MOLECULAR FORMULA: C12H18N2O2
MOLECULAR WEIGHT: 222.28352
SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)CN
Structure:
CAS RN: 180258-45-1
CAS Name: 4-amino-1-methyl-2-pyrrolecarboxylic acid methyl ester hydrochloride
OPENEYE Name: methyl 4-amino-1-methyl-pyrrole-2-carboxylate hydrochloride
IUPAC Name: methyl 4-amino-1-methylpyrrole-2-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 4-azanyl-1-methyl-pyrrole-2-carboxylate hydrochloride
MOLECULAR FORMULA: C7H11ClN2O2
MOLECULAR WEIGHT: 190.62744
SMILES: CN1C=C(C=C1C(=O)OC)N.Cl
Structure:
CAS RN: 96056-64-3
CAS Name: 2,3-dihydro-1H-indole-2-carboxylic acid methyl ester
OPENEYE Name: methyl indoline-2-carboxylate
IUPAC Name: methyl 2,3-dihydro-1H-indole-2-carboxylate
SYSTEMATIC NAME: methyl 2,3-dihydro-1H-indole-2-carboxylate
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: COC(=O)C1CC2=CC=CC=C2N1
Structure:
CAS RN: 162046-56-2
CAS Name: 4-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]oxy]benzoic acid
OPENEYE Name: 4-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]benzoic acid
IUPAC Name: 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
SYSTEMATIC NAME: 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
MOLECULAR FORMULA: C17H23NO5
MOLECULAR WEIGHT: 321.36822
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 51419-59-1
CAS Name: (4-methylphenyl)methanesulfonyl chloride
OPENEYE Name: p-tolylmethanesulfonyl chloride
IUPAC Name: (4-methylphenyl)methanesulfonyl chloride
SYSTEMATIC NAME: (4-methylphenyl)methanesulfonyl chloride
MOLECULAR FORMULA: C8H9ClO2S
MOLECULAR WEIGHT: 204.67386
SMILES: CC1=CC=C(C=C1)CS(=O)(=O)Cl
Structure:
CAS RN: 127162-96-3
CAS Name: [3-(trifluoromethyl)phenyl]methanesulfonyl chloride
OPENEYE Name: [3-(trifluoromethyl)phenyl]methanesulfonyl chloride
IUPAC Name: [3-(trifluoromethyl)phenyl]methanesulfonyl chloride
SYSTEMATIC NAME: [3-(trifluoromethyl)phenyl]methanesulfonyl chloride
MOLECULAR FORMULA: C8H6ClF3O2S
MOLECULAR WEIGHT: 258.64525
SMILES: C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)Cl
Structure:
CAS RN: 4025-75-6
CAS Name: (4-nitrophenyl)methanesulfonyl chloride
OPENEYE Name: (4-nitrophenyl)methanesulfonyl chloride
IUPAC Name: (4-nitrophenyl)methanesulfonyl chloride
SYSTEMATIC NAME: (4-nitrophenyl)methanesulfonyl chloride
MOLECULAR FORMULA: C7H6ClNO4S
MOLECULAR WEIGHT: 235.64484
SMILES: C1=CC(=CC=C1CS(=O)(=O)Cl)[N+](=O)[O-]
Structure:
CAS RN: 699-04-7
CAS Name: N-methyl-1-(4-methylphenyl)methanamine
OPENEYE Name: N-methyl-1-(p-tolyl)methanamine
IUPAC Name: N-methyl-1-(4-methylphenyl)methanamine
SYSTEMATIC NAME: N-methyl-1-(4-methylphenyl)methanamine
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC1=CC=C(C=C1)CNC
Structure:
CAS RN: 14714-24-0
CAS Name: 6-chloro-2-imidazo[1,2-b]pyridazinecarboxylic acid
OPENEYE Name: 6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid
IUPAC Name: 6-chloroimidazo[1,2-b]pyridazine-2-carboxylic acid
SYSTEMATIC NAME: 6-chloranylimidazo[1,2-b]pyridazine-2-carboxylic acid
MOLECULAR FORMULA: C7H4ClN3O2
MOLECULAR WEIGHT: 197.57856
SMILES: C1=CC(=NN2C1=NC(=C2)C(=O)O)Cl
Structure:
CAS RN: 219492-12-3
CAS Name: 4-methyl-3-phenylmethoxyaniline
OPENEYE Name: 3-benzyloxy-4-methyl-aniline
IUPAC Name: 4-methyl-3-phenylmethoxyaniline
SYSTEMATIC NAME: 4-methyl-3-phenylmethoxy-aniline
MOLECULAR FORMULA: C14H15NO
MOLECULAR WEIGHT: 213.275
SMILES: CC1=C(C=C(C=C1)N)OCC2=CC=CC=C2
Structure:
CAS RN: 73746-45-9
CAS Name: 5-iodo-2-methyl-1H-imidazole
OPENEYE Name: 5-iodo-2-methyl-1H-imidazole
IUPAC Name: 5-iodo-2-methyl-1H-imidazole
SYSTEMATIC NAME: 5-iodanyl-2-methyl-1H-imidazole
MOLECULAR FORMULA: C4H5IN2
MOLECULAR WEIGHT: 208.00037
SMILES: CC1=NC=C(N1)I
Structure:
CAS RN: 85952-30-3
CAS Name: (3,4-dichlorophenyl)methanesulfonyl chloride
OPENEYE Name: (3,4-dichlorophenyl)methanesulfonyl chloride
IUPAC Name: (3,4-dichlorophenyl)methanesulfonyl chloride
SYSTEMATIC NAME: (3,4-dichlorophenyl)methanesulfonyl chloride
MOLECULAR FORMULA: C7H5Cl3O2S
MOLECULAR WEIGHT: 259.5374
SMILES: C1=CC(=C(C=C1CS(=O)(=O)Cl)Cl)Cl
Structure:
CAS RN: 95798-23-5
CAS Name: 4-hydroxy-1-piperidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 4-hydroxypiperidine-1-carboxylate
IUPAC Name: benzyl 4-hydroxypiperidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-oxidanylpiperidine-1-carboxylate
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: C1CN(CCC1O)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 50451-84-8
CAS Name: 5-chloro-3-methyl-1-benzothiophene-2-carboxylic acid
OPENEYE Name: 5-chloro-3-methyl-benzothiophene-2-carboxylic acid
IUPAC Name: 5-chloro-3-methyl-1-benzothiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-chloranyl-3-methyl-1-benzothiophene-2-carboxylic acid
MOLECULAR FORMULA: C10H7ClO2S
MOLECULAR WEIGHT: 226.67938
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)O
Structure:
CAS RN: 679806-67-8
CAS Name: 1-propan-2-yl-5-benzotriazolecarbonyl chloride
OPENEYE Name: 1-isopropylbenzotriazole-5-carbonyl chloride
IUPAC Name: 1-propan-2-ylbenzotriazole-5-carbonyl chloride
SYSTEMATIC NAME: 1-propan-2-ylbenzotriazole-5-carbonyl chloride
MOLECULAR FORMULA: C10H10ClN3O
MOLECULAR WEIGHT: 223.6589
SMILES: CC(C)N1C2=C(C=C(C=C2)C(=O)Cl)N=N1
Structure:
CAS RN: 102392-83-6
CAS Name: 1-pyrrolidinecarboximidamide hydroiodide
OPENEYE Name: pyrrolidine-1-carboxamidine hydroiodide
IUPAC Name: pyrrolidine-1-carboximidamide hydroiodide
SYSTEMATIC NAME: pyrrolidine-1-carboximidamide hydroiodide
MOLECULAR FORMULA: C5H12IN3
MOLECULAR WEIGHT: 241.07335
SMILES: C1CCN(C1)C(=N)N.I
Structure:
CAS RN: 112539-09-0
CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzenesulfonyl chloride
OPENEYE Name: 4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
IUPAC Name: 4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
SYSTEMATIC NAME: 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonyl chloride
MOLECULAR FORMULA: C10H10ClNO3S
MOLECULAR WEIGHT: 259.7093
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)Cl
Structure:
CAS RN: 14282-78-1
CAS Name: 4-methyl-2-thiophenecarboxylic acid
OPENEYE Name: 4-methylthiophene-2-carboxylic acid
IUPAC Name: 4-methylthiophene-2-carboxylic acid
SYSTEMATIC NAME: 4-methylthiophene-2-carboxylic acid
MOLECULAR FORMULA: C6H6O2S
MOLECULAR WEIGHT: 142.17564
SMILES: CC1=CSC(=C1)C(=O)O
Structure:
CAS RN: 37444-46-5
CAS Name: 3-pyridazinylmethanol
OPENEYE Name: pyridazin-3-ylmethanol
IUPAC Name: pyridazin-3-ylmethanol
SYSTEMATIC NAME: pyridazin-3-ylmethanol
MOLECULAR FORMULA: C5H6N2O
MOLECULAR WEIGHT: 110.11394
SMILES: C1=CC(=NN=C1)CO
Structure:
CAS RN: 71556-74-6
CAS Name: 3-ethyl-3-(3-hydroxyphenyl)-1-methyl-2-azepanone
OPENEYE Name: 3-ethyl-3-(3-hydroxyphenyl)-1-methyl-azepan-2-one
IUPAC Name: 3-ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one
SYSTEMATIC NAME: 3-ethyl-3-(3-hydroxyphenyl)-1-methyl-azepan-2-one
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)O
Structure:
CAS RN: 20349-89-7
CAS Name: 3-(2-hydroxyphenyl)propanoic acid methyl ester
OPENEYE Name: methyl 3-(2-hydroxyphenyl)propanoate
IUPAC Name: methyl 3-(2-hydroxyphenyl)propanoate
SYSTEMATIC NAME: methyl 3-(2-hydroxyphenyl)propanoate
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: COC(=O)CCC1=CC=CC=C1O
Structure:
CAS RN: 17852-52-7
CAS Name: 4-hydrazinylbenzenesulfonamide hydrochloride
OPENEYE Name: 4-hydrazinobenzenesulfonamide hydrochloride
IUPAC Name: 4-hydrazinylbenzenesulfonamide hydrochloride
SYSTEMATIC NAME: 4-diazanylbenzenesulfonamide hydrochloride
MOLECULAR FORMULA: C6H10ClN3O2S
MOLECULAR WEIGHT: 223.6805
SMILES: C1=CC(=CC=C1NN)S(=O)(=O)N.Cl
Structure:
CAS RN: 654682-50-5
CAS Name: 4-hydrazinylbenzenesulfonamide hydrochloride
OPENEYE Name: 4-hydrazinobenzenesulfonamide hydrochloride
IUPAC Name: 4-hydrazinylbenzenesulfonamide hydrochloride
SYSTEMATIC NAME: 4-diazanylbenzenesulfonamide hydrochloride
MOLECULAR FORMULA: C6H10ClN3O2S
MOLECULAR WEIGHT: 223.6805
SMILES: C1=CC(=CC=C1NN)S(=O)(=O)N.Cl
Structure:
CAS RN: 519056-67-8
CAS Name: 1-methyl-3-(trifluoromethyl)-4-pyrazolesulfonyl chloride
OPENEYE Name: 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride
IUPAC Name: 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride
SYSTEMATIC NAME: 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride
MOLECULAR FORMULA: C5H4ClF3N2O2S
MOLECULAR WEIGHT: 248.61067
SMILES: CN1C=C(C(=N1)C(F)(F)F)S(=O)(=O)Cl
Structure:
CAS RN: 21203-68-9
CAS Name: 2-methyl-5-nitropyridine
OPENEYE Name: 2-methyl-5-nitro-pyridine
IUPAC Name: 2-methyl-5-nitropyridine
SYSTEMATIC NAME: 2-methyl-5-nitro-pyridine
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: CC1=NC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 143492-62-0
CAS Name: 1-[(3,5-dinitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(3,5-dinitrobenzoyl)pyrrolidine-2-carboxylic acid
IUPAC Name: 1-(3,5-dinitrobenzoyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-(3,5-dinitrophenyl)carbonylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C12H11N3O7
MOLECULAR WEIGHT: 309.23164
SMILES: C1CC(N(C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 36155-35-8
CAS Name: 2-[(4-chlorophenyl)thio]ethanamine
OPENEYE Name: 2-(4-chlorophenyl)sulfanylethanamine
IUPAC Name: 2-(4-chlorophenyl)sulfanylethanamine
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfanylethanamine
MOLECULAR FORMULA: C8H10ClNS
MOLECULAR WEIGHT: 187.6897
SMILES: C1=CC(=CC=C1SCCN)Cl
Structure:
CAS RN: 94134-32-4
CAS Name: 4-tert-butylbenzoic acid butyl ester
OPENEYE Name: butyl 4-tert-butylbenzoate
IUPAC Name: butyl 4-tert-butylbenzoate
SYSTEMATIC NAME: butyl 4-tert-butylbenzoate
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CCCCOC(=O)C1=CC=C(C=C1)C(C)(C)C
Structure:
CAS RN: 144900-57-2
CAS Name: (2-chloro-4-pyridinyl)methanamine
OPENEYE Name: (2-chloro-4-pyridyl)methanamine
IUPAC Name: (2-chloropyridin-4-yl)methanamine
SYSTEMATIC NAME: (2-chloranylpyridin-4-yl)methanamine
MOLECULAR FORMULA: C6H7ClN2
MOLECULAR WEIGHT: 142.58618
SMILES: C1=CN=C(C=C1CN)Cl
Structure:
CAS RN: 69632-32-2
CAS Name: 3,5-dinitro-N-[(1R)-1-phenylethyl]benzamide
OPENEYE Name: 3,5-dinitro-N-[(1R)-1-phenylethyl]benzamide
IUPAC Name: 3,5-dinitro-N-[(1R)-1-phenylethyl]benzamide
SYSTEMATIC NAME: 3,5-dinitro-N-[(1R)-1-phenylethyl]benzamide
MOLECULAR FORMULA: C15H13N3O5
MOLECULAR WEIGHT: 315.28082
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 50691-97-9
CAS Name: (3R)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
OPENEYE Name: (3R)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
IUPAC Name: (3R)-7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: (3R)-7-chloranyl-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C16H13ClN2O
MOLECULAR WEIGHT: 284.74022
SMILES: C[C@@H]1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
Structure:
CAS RN: 50691-98-0
CAS Name: (3R)-7-chloro-5-phenyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
OPENEYE Name: (3R)-3-benzyl-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
IUPAC Name: (3R)-3-benzyl-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: (3R)-7-chloranyl-5-phenyl-3-(phenylmethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C22H17ClN2O
MOLECULAR WEIGHT: 360.83618
SMILES: C1=CC=C(C=C1)C[C@@H]2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4
Structure:
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