CAS RN: 52943-22-3
CAS Name: 2-chloro-N-ethyl-3-pyridinecarboxamide
OPENEYE Name: 2-chloro-N-ethyl-pyridine-3-carboxamide
IUPAC Name: 2-chloro-N-ethylpyridine-3-carboxamide
SYSTEMATIC NAME: 2-chloranyl-N-ethyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C8H9ClN2O
MOLECULAR WEIGHT: 184.62286
SMILES: CCNC(=O)C1=C(N=CC=C1)Cl
Structure:
CAS RN: 495078-29-0
CAS Name: 1-(aminomethyl)-N,N-dimethyl-1-cycloheptanamine
OPENEYE Name: 1-(aminomethyl)-N,N-dimethyl-cycloheptanamine
IUPAC Name: 1-(aminomethyl)-N,N-dimethylcycloheptan-1-amine
SYSTEMATIC NAME: 1-(aminomethyl)-N,N-dimethyl-cycloheptan-1-amine
MOLECULAR FORMULA: C10H22N2
MOLECULAR WEIGHT: 170.29508
SMILES: CN(C)C1(CCCCCC1)CN
Structure:
CAS RN: 891656-66-9
CAS Name: 4-(aminomethyl)-1-ethyl-N,N-dimethyl-4-piperidinamine
OPENEYE Name: 4-(aminomethyl)-1-ethyl-N,N-dimethyl-piperidin-4-amine
IUPAC Name: 4-(aminomethyl)-1-ethyl-N,N-dimethylpiperidin-4-amine
SYSTEMATIC NAME: 4-(aminomethyl)-1-ethyl-N,N-dimethyl-piperidin-4-amine
MOLECULAR FORMULA: C10H23N3
MOLECULAR WEIGHT: 185.30972
SMILES: CCN1CCC(CC1)(CN)N(C)C
Structure:
CAS RN: 4802-88-4
CAS Name: 2-(2,4-dioxo-1-quinazolinyl)acetic acid
OPENEYE Name: 2-(2,4-dioxoquinazolin-1-yl)acetic acid
IUPAC Name: 2-(2,4-dioxoquinazolin-1-yl)acetic acid
SYSTEMATIC NAME: 2-[2,4-bis(oxidanylidene)quinazolin-1-yl]ethanoic acid
MOLECULAR FORMULA: C10H8N2O4
MOLECULAR WEIGHT: 220.18152
SMILES: C1=CC=C2C(=C1)C(=O)NC(=O)N2CC(=O)O
Structure:
CAS RN: 10288-72-9
CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ol
OPENEYE Name: 2,3-dihydro-1,4-benzodioxin-6-ol
IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ol
SYSTEMATIC NAME: 2,3-dihydro-1,4-benzodioxin-6-ol
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: C1COC2=C(O1)C=CC(=C2)O
Structure:
CAS RN: 317319-17-8
CAS Name: 2-(4-fluorophenyl)-4-methyl-5-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(4-fluorophenyl)-4-methyl-thiazole-5-carboxylate
IUPAC Name: ethyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C13H12FNO2S
MOLECULAR WEIGHT: 265.303283
SMILES: CCOC(=O)C1=C(N=C(S1)C2=CC=C(C=C2)F)C
Structure:
CAS RN: 89269-64-7
CAS Name: 4,6-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-pyrimidinamine
OPENEYE Name: 4,6-dimethyl-N-[(Z)-1-(o-tolyl)ethylideneamino]pyrimidin-2-amine
IUPAC Name: 4,6-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]pyrimidin-2-amine
SYSTEMATIC NAME: 4,6-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]pyrimidin-2-amine
MOLECULAR FORMULA: C15H18N4
MOLECULAR WEIGHT: 254.33022
SMILES: CC1=CC=CC=C1/C(=N\NC2=NC(=CC(=N2)C)C)/C
Structure:
CAS RN: 876866-50-1
CAS Name: 1-[cyclopropyl(oxo)methyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-(cyclopropanecarbonyl)piperidine-4-carboxylic acid
IUPAC Name: 1-(cyclopropanecarbonyl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropylcarbonylpiperidine-4-carboxylic acid
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: C1CC1C(=O)N2CCC(CC2)C(=O)O
Structure:
CAS RN: 39086-71-0
CAS Name: 2-chloro-N-methyl-N-propan-2-ylacetamide
OPENEYE Name: 2-chloro-N-isopropyl-N-methyl-acetamide
IUPAC Name: 2-chloro-N-methyl-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-chloranyl-N-methyl-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C6H12ClNO
MOLECULAR WEIGHT: 149.61858
SMILES: CC(C)N(C)C(=O)CCl
Structure:
CAS RN: 3524-19-4
CAS Name: 2-[(2S)-butan-2-yl]-1H-pyrazol-2-ium-3-amine
OPENEYE Name: 2-[(1S)-1-methylpropyl]-1H-pyrazol-2-ium-3-amine
IUPAC Name: 2-[(2S)-butan-2-yl]-1H-pyrazol-2-ium-3-amine
SYSTEMATIC NAME: 2-[(2S)-butan-2-yl]-1H-pyrazol-2-ium-3-amine
MOLECULAR FORMULA: C7H14N3+
MOLECULAR WEIGHT: 140.20616
SMILES: CC[C@H](C)[N+]1=C(C=CN1)N
Structure:
CAS RN: 3524-19-4
CAS Name: 2-[(2R)-butan-2-yl]-1H-pyrazol-2-ium-3-amine
OPENEYE Name: 2-[(1R)-1-methylpropyl]-1H-pyrazol-2-ium-3-amine
IUPAC Name: 2-[(2R)-butan-2-yl]-1H-pyrazol-2-ium-3-amine
SYSTEMATIC NAME: 2-[(2R)-butan-2-yl]-1H-pyrazol-2-ium-3-amine
MOLECULAR FORMULA: C7H14N3+
MOLECULAR WEIGHT: 140.20616
SMILES: CC[C@@H](C)[N+]1=C(C=CN1)N
Structure:
CAS RN: 964-08-9
CAS Name: 1,1-dioxo-4-(phenylmethyl)-1$l^{6},2,4-benzothiadiazin-3-one
OPENEYE Name: 4-benzyl-1,1-dioxo-1$l^{6},2,4-benzothiadiazin-3-one
IUPAC Name: 4-benzyl-1,1-dioxo-1$l^{6},2,4-benzothiadiazin-3-one
SYSTEMATIC NAME: 1,1-bis(oxidanylidene)-4-(phenylmethyl)-1$l^{6},2,4-benzothiadiazin-3-one
MOLECULAR FORMULA: C14H12N2O3S
MOLECULAR WEIGHT: 288.32168
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3S(=O)(=O)NC2=O
Structure:
CAS RN: 849509-45-1
CAS Name: 3-bromo-4-propoxybenzoic acid
OPENEYE Name: 3-bromo-4-propoxy-benzoic acid
IUPAC Name: 3-bromo-4-propoxybenzoic acid
SYSTEMATIC NAME: 3-bromanyl-4-propoxy-benzoic acid
MOLECULAR FORMULA: C10H11BrO3
MOLECULAR WEIGHT: 259.09654
SMILES: CCCOC1=C(C=C(C=C1)C(=O)O)Br
Structure:
CAS RN: 82967-94-0
CAS Name: 2,3-dichlorobenzenesulfonamide
OPENEYE Name: 2,3-dichlorobenzenesulfonamide
IUPAC Name: 2,3-dichlorobenzenesulfonamide
SYSTEMATIC NAME: 2,3-bis(chloranyl)benzenesulfonamide
MOLECULAR FORMULA: C6H5Cl2NO2S
MOLECULAR WEIGHT: 226.0804
SMILES: C1=CC(=C(C(=C1)Cl)Cl)S(=O)(=O)N
Structure:
CAS RN: 406233-17-8
CAS Name: 4-chloro-3-(trifluoromethyl)benzenesulfonamide
OPENEYE Name: 4-chloro-3-(trifluoromethyl)benzenesulfonamide
IUPAC Name: 4-chloro-3-(trifluoromethyl)benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-3-(trifluoromethyl)benzenesulfonamide
MOLECULAR FORMULA: C7H5ClF3NO2S
MOLECULAR WEIGHT: 259.63331
SMILES: C1=CC(=C(C=C1S(=O)(=O)N)C(F)(F)F)Cl
Structure:
CAS RN: 125776-04-7
CAS Name: 7-(diethylamino)-3-[(E)-1-oxo-3-phenylprop-2-enyl]-1-benzopyran-2-one
OPENEYE Name: 7-(diethylamino)-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
IUPAC Name: 7-(diethylamino)-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
SYSTEMATIC NAME: 7-(diethylamino)-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
MOLECULAR FORMULA: C22H21NO3
MOLECULAR WEIGHT: 347.40704
SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)/C=C/C3=CC=CC=C3
Structure:
CAS RN: 77819-83-1
CAS Name: 7-(diethylamino)-3-[(E)-1-oxo-3-phenylprop-2-enyl]-1-benzopyran-2-one
OPENEYE Name: 7-(diethylamino)-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
IUPAC Name: 7-(diethylamino)-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
SYSTEMATIC NAME: 7-(diethylamino)-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
MOLECULAR FORMULA: C22H21NO3
MOLECULAR WEIGHT: 347.40704
SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)/C=C/C3=CC=CC=C3
Structure:
CAS RN: 101935-40-4
CAS Name: 2-bromo-3-nitrophenol
OPENEYE Name: 2-bromo-3-nitro-phenol
IUPAC Name: 2-bromo-3-nitrophenol
SYSTEMATIC NAME: 2-bromanyl-3-nitro-phenol
MOLECULAR FORMULA: C6H4BrNO3
MOLECULAR WEIGHT: 218.00486
SMILES: C1=CC(=C(C(=C1)O)Br)[N+](=O)[O-]
Structure:
CAS RN: 74103-28-9
CAS Name: 4-acetamido-3-bromobenzoic acid
OPENEYE Name: 4-acetamido-3-bromo-benzoic acid
IUPAC Name: 4-acetamido-3-bromobenzoic acid
SYSTEMATIC NAME: 4-acetamido-3-bromanyl-benzoic acid
MOLECULAR FORMULA: C9H8BrNO3
MOLECULAR WEIGHT: 258.06872
SMILES: CC(=O)NC1=C(C=C(C=C1)C(=O)O)Br
Structure:
CAS RN: 30273-40-6
CAS Name: 4-bromo-2,5-dimethylaniline
OPENEYE Name: 4-bromo-2,5-dimethyl-aniline
IUPAC Name: 4-bromo-2,5-dimethylaniline
SYSTEMATIC NAME: 4-bromanyl-2,5-dimethyl-aniline
MOLECULAR FORMULA: C8H10BrN
MOLECULAR WEIGHT: 200.0757
SMILES: CC1=CC(=C(C=C1Br)C)N
Structure:
CAS RN: 93073-23-5
CAS Name: 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
OPENEYE Name: 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
IUPAC Name: 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SYSTEMATIC NAME: 6-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MOLECULAR FORMULA: C17H13ClN4OS
MOLECULAR WEIGHT: 356.82932
SMILES: COC1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 57486-69-8
CAS Name: 2-(2-bromophenyl)acetic acid methyl ester
OPENEYE Name: methyl 2-(2-bromophenyl)acetate
IUPAC Name: methyl 2-(2-bromophenyl)acetate
SYSTEMATIC NAME: methyl 2-(2-bromophenyl)ethanoate
MOLECULAR FORMULA: C9H9BrO2
MOLECULAR WEIGHT: 229.07056
SMILES: COC(=O)CC1=CC=CC=C1Br
Structure:
CAS RN: 21427-62-3
CAS Name: 2,5-dichloro-3-nitropyridine
OPENEYE Name: 2,5-dichloro-3-nitro-pyridine
IUPAC Name: 2,5-dichloro-3-nitropyridine
SYSTEMATIC NAME: 2,5-bis(chloranyl)-3-nitro-pyridine
MOLECULAR FORMULA: C5H2Cl2N2O2
MOLECULAR WEIGHT: 192.98758
SMILES: C1=C(C(=NC=C1Cl)Cl)[N+](=O)[O-]
Structure:
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