CAS RN: 21404-91-1
CAS Name: 1-(1-azepanyl)-2-methyl-2-propanamine
OPENEYE Name: 1-(azepan-1-yl)-2-methyl-propan-2-amine
IUPAC Name: 1-(azepan-1-yl)-2-methylpropan-2-amine
SYSTEMATIC NAME: 1-(azepan-1-yl)-2-methyl-propan-2-amine
MOLECULAR FORMULA: C10H22N2
MOLECULAR WEIGHT: 170.29508
SMILES: CC(C)(CN1CCCCCC1)N
Structure:
CAS RN: 349-22-4
CAS Name: 4-(4-fluoro-3-methylphenyl)-4-oxobutanoic acid
OPENEYE Name: 4-(4-fluoro-3-methyl-phenyl)-4-oxo-butanoic acid
IUPAC Name: 4-(4-fluoro-3-methylphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(4-fluoranyl-3-methyl-phenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C11H11FO3
MOLECULAR WEIGHT: 210.201643
SMILES: CC1=C(C=CC(=C1)C(=O)CCC(=O)O)F
Structure:
CAS RN: 3347-50-0
CAS Name: 2-(2,3-dimethylphenoxy)butanoic acid
OPENEYE Name: 2-(2,3-dimethylphenoxy)butanoic acid
IUPAC Name: 2-(2,3-dimethylphenoxy)butanoic acid
SYSTEMATIC NAME: 2-(2,3-dimethylphenoxy)butanoic acid
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CCC(C(=O)O)OC1=CC=CC(=C1C)C
Structure:
CAS RN: 869941-96-8
CAS Name: 6-methyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid
OPENEYE Name: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
IUPAC Name: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SYSTEMATIC NAME: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
MOLECULAR FORMULA: C8H7N3O2
MOLECULAR WEIGHT: 177.16008
SMILES: CC1=CN2C(=C(C=N2)C(=O)O)N=C1
Structure:
CAS RN: 956364-46-8
CAS Name: 1-ethyl-5-methyl-3-pyrazolamine
OPENEYE Name: 1-ethyl-5-methyl-pyrazol-3-amine
IUPAC Name: 1-ethyl-5-methylpyrazol-3-amine
SYSTEMATIC NAME: 1-ethyl-5-methyl-pyrazol-3-amine
MOLECULAR FORMULA: C6H11N3
MOLECULAR WEIGHT: 125.17164
SMILES: CCN1C(=CC(=N1)N)C
Structure:
CAS RN: 957261-65-3
CAS Name: 2-chloro-N-(1,5-dimethyl-4-pyrazolyl)acetamide
OPENEYE Name: 2-chloro-N-(1,5-dimethylpyrazol-4-yl)acetamide
IUPAC Name: 2-chloro-N-(1,5-dimethylpyrazol-4-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(1,5-dimethylpyrazol-4-yl)ethanamide
MOLECULAR FORMULA: C7H10ClN3O
MOLECULAR WEIGHT: 187.6268
SMILES: CC1=C(C=NN1C)NC(=O)CCl
Structure:
CAS RN: 51627-46-4
CAS Name: 2-(1-azepanyl)aniline
OPENEYE Name: 2-(azepan-1-yl)aniline
IUPAC Name: 2-(azepan-1-yl)aniline
SYSTEMATIC NAME: 2-(azepan-1-yl)aniline
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: C1CCCN(CC1)C2=CC=CC=C2N
Structure:
CAS RN: 32089-46-6
CAS Name: 2-(4-chloro-1-pyrazolyl)acetic acid
OPENEYE Name: 2-(4-chloropyrazol-1-yl)acetic acid
IUPAC Name: 2-(4-chloropyrazol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(4-chloranylpyrazol-1-yl)ethanoic acid
MOLECULAR FORMULA: C5H5ClN2O2
MOLECULAR WEIGHT: 160.5584
SMILES: C1=C(C=NN1CC(=O)O)Cl
Structure:
CAS RN: 957261-55-1
CAS Name: 1-ethyl-5-methyl-4-pyrazolesulfonyl chloride
OPENEYE Name: 1-ethyl-5-methyl-pyrazole-4-sulfonyl chloride
IUPAC Name: 1-ethyl-5-methylpyrazole-4-sulfonyl chloride
SYSTEMATIC NAME: 1-ethyl-5-methyl-pyrazole-4-sulfonyl chloride
MOLECULAR FORMULA: C6H9ClN2O2S
MOLECULAR WEIGHT: 208.66586
SMILES: CCN1C(=C(C=N1)S(=O)(=O)Cl)C
Structure:
CAS RN: 104373-85-5
CAS Name: 3-[4-(2-pyridinyl)-1-piperazinyl]propanoic acid
OPENEYE Name: 3-[4-(2-pyridyl)piperazin-1-yl]propanoic acid
IUPAC Name: 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
MOLECULAR FORMULA: C12H17N3O2
MOLECULAR WEIGHT: 235.28228
SMILES: C1CN(CCN1CCC(=O)O)C2=CC=CC=N2
Structure:
CAS RN: 130516-99-3
CAS Name: 4-[2-(2-methyl-1-imidazolyl)ethyl]piperidine
OPENEYE Name: 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine
IUPAC Name: 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine
SYSTEMATIC NAME: 4-[2-(2-methylimidazol-1-yl)ethyl]piperidine
MOLECULAR FORMULA: C11H19N3
MOLECULAR WEIGHT: 193.28866
SMILES: CC1=NC=CN1CCC2CCNCC2
Structure:
CAS RN: 63874-95-3
CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxaldehyde
OPENEYE Name: 1-benzylpyrazole-4-carbaldehyde
IUPAC Name: 1-benzylpyrazole-4-carbaldehyde
SYSTEMATIC NAME: 1-(phenylmethyl)pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: C1=CC=C(C=C1)CN2C=C(C=N2)C=O
Structure:
CAS RN: 62345-76-0
CAS Name: 4-[2-(dimethylamino)ethoxy]aniline
OPENEYE Name: 4-[2-(dimethylamino)ethoxy]aniline
IUPAC Name: 4-[2-(dimethylamino)ethoxy]aniline
SYSTEMATIC NAME: 4-[2-(dimethylamino)ethoxy]aniline
MOLECULAR FORMULA: C10H16N2O
MOLECULAR WEIGHT: 180.24684
SMILES: CN(C)CCOC1=CC=C(C=C1)N
Structure:
CAS RN: 50911-60-9
CAS Name: 3-(4-chlorophenoxy)-1-propanamine
OPENEYE Name: 3-(4-chlorophenoxy)propan-1-amine
IUPAC Name: 3-(4-chlorophenoxy)propan-1-amine
SYSTEMATIC NAME: 3-(4-chloranylphenoxy)propan-1-amine
MOLECULAR FORMULA: C9H12ClNO
MOLECULAR WEIGHT: 185.65068
SMILES: C1=CC(=CC=C1OCCCN)Cl
Structure:
CAS RN: 19577-84-5
CAS Name: 2-[(4-methyl-1-piperazinyl)methyl]aniline
OPENEYE Name: 2-[(4-methylpiperazin-1-yl)methyl]aniline
IUPAC Name: 2-[(4-methylpiperazin-1-yl)methyl]aniline
SYSTEMATIC NAME: 2-[(4-methylpiperazin-1-yl)methyl]aniline
MOLECULAR FORMULA: C12H19N3
MOLECULAR WEIGHT: 205.29936
SMILES: CN1CCN(CC1)CC2=CC=CC=C2N
Structure:
CAS RN: 26455-36-7
CAS Name: 4-cyclopentyloxyaniline
OPENEYE Name: 4-(cyclopentoxy)aniline
IUPAC Name: 4-cyclopentyloxyaniline
SYSTEMATIC NAME: 4-cyclopentyloxyaniline
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: C1CCC(C1)OC2=CC=C(C=C2)N
Structure:
CAS RN: 93138-55-7
CAS Name: 3-(1-piperidinylmethyl)aniline
OPENEYE Name: 3-(1-piperidylmethyl)aniline
IUPAC Name: 3-(piperidin-1-ylmethyl)aniline
SYSTEMATIC NAME: 3-(piperidin-1-ylmethyl)aniline
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: C1CCN(CC1)CC2=CC(=CC=C2)N
Structure:
CAS RN: 14633-21-7
CAS Name: 3-ethyl-5-isoxazolecarboxylic acid
OPENEYE Name: 3-ethylisoxazole-5-carboxylic acid
IUPAC Name: 3-ethyl-1,2-oxazole-5-carboxylic acid
SYSTEMATIC NAME: 3-ethyl-1,2-oxazole-5-carboxylic acid
MOLECULAR FORMULA: C6H7NO3
MOLECULAR WEIGHT: 141.12468
SMILES: CCC1=NOC(=C1)C(=O)O
Structure:
CAS RN: 115122-63-9
CAS Name: 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid
OPENEYE Name: 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid
IUPAC Name: 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylic acid
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: C1CC2=C(C1)NC(=O)C(=C2)C(=O)O
Structure:
CAS RN: 868543-19-5
CAS Name: 2-(4-morpholinylmethyl)benzoic acid
OPENEYE Name: 2-(morpholinomethyl)benzoic acid
IUPAC Name: 2-(morpholin-4-ylmethyl)benzoic acid
SYSTEMATIC NAME: 2-(morpholin-4-ylmethyl)benzoic acid
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: C1COCCN1CC2=CC=CC=C2C(=O)O
Structure:
CAS RN: 684249-99-8
CAS Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid
OPENEYE Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid
IUPAC Name: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanoic acid
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CC1=NN(C(=N1)C)CC(=O)O
Structure:
CAS RN: 26228-68-2
CAS Name: 4-(aminomethyl)-1-methyl-4-piperidinol
OPENEYE Name: 4-(aminomethyl)-1-methyl-piperidin-4-ol
IUPAC Name: 4-(aminomethyl)-1-methylpiperidin-4-ol
SYSTEMATIC NAME: 4-(aminomethyl)-1-methyl-piperidin-4-ol
MOLECULAR FORMULA: C7H16N2O
MOLECULAR WEIGHT: 144.21474
SMILES: CN1CCC(CC1)(CN)O
Structure:
CAS RN: 855153-75-2
CAS Name: 2-(1-piperidinyl)-4-pyridinecarboxylic acid
OPENEYE Name: 2-(1-piperidyl)pyridine-4-carboxylic acid
IUPAC Name: 2-piperidin-1-ylpyridine-4-carboxylic acid
SYSTEMATIC NAME: 2-piperidin-1-ylpyridine-4-carboxylic acid
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: C1CCN(CC1)C2=NC=CC(=C2)C(=O)O
Structure:
CAS RN: 98088-04-1
CAS Name: 2-(1-pyrrolidinyl)-4-pyridinecarboxylic acid
OPENEYE Name: 2-pyrrolidin-1-ylpyridine-4-carboxylic acid
IUPAC Name: 2-pyrrolidin-1-ylpyridine-4-carboxylic acid
SYSTEMATIC NAME: 2-pyrrolidin-1-ylpyridine-4-carboxylic acid
MOLECULAR FORMULA: C10H12N2O2
MOLECULAR WEIGHT: 192.21448
SMILES: C1CCN(C1)C2=NC=CC(=C2)C(=O)O
Structure:
CAS RN: 473706-11-5
CAS Name: 4-(4-fluorophenyl)-4-oxanecarboxylic acid
OPENEYE Name: 4-(4-fluorophenyl)tetrahydropyran-4-carboxylic acid
IUPAC Name: 4-(4-fluorophenyl)oxane-4-carboxylic acid
SYSTEMATIC NAME: 4-(4-fluorophenyl)oxane-4-carboxylic acid
MOLECULAR FORMULA: C12H13FO3
MOLECULAR WEIGHT: 224.228223
SMILES: C1COCCC1(C2=CC=C(C=C2)F)C(=O)O
Structure:
CAS RN: 39093-93-1
CAS Name: 1,4-thiazinane 1,1-dioxide
OPENEYE Name: 1,4-thiazinane 1,1-dioxide
IUPAC Name: 1,4-thiazinane 1,1-dioxide
SYSTEMATIC NAME: 1,4-thiazinane 1,1-dioxide
MOLECULAR FORMULA: C4H9NO2S
MOLECULAR WEIGHT: 135.18476
SMILES: C1CS(=O)(=O)CCN1
Structure:
CAS RN: 889939-79-1
CAS Name: [4-(4-fluorophenyl)-4-oxanyl]methanamine
OPENEYE Name: [4-(4-fluorophenyl)tetrahydropyran-4-yl]methanamine
IUPAC Name: [4-(4-fluorophenyl)oxan-4-yl]methanamine
SYSTEMATIC NAME: [4-(4-fluorophenyl)oxan-4-yl]methanamine
MOLECULAR FORMULA: C12H16FNO
MOLECULAR WEIGHT: 209.259943
SMILES: C1COCCC1(CN)C2=CC=C(C=C2)F
Structure:
CAS RN: 220137-70-2
CAS Name: 1-(1-piperidinylmethyl)-1-cyclohexanamine
OPENEYE Name: 1-(1-piperidylmethyl)cyclohexanamine
IUPAC Name: 1-(piperidin-1-ylmethyl)cyclohexan-1-amine
SYSTEMATIC NAME: 1-(piperidin-1-ylmethyl)cyclohexan-1-amine
MOLECULAR FORMULA: C12H24N2
MOLECULAR WEIGHT: 196.33236
SMILES: C1CCC(CC1)(CN2CCCCC2)N
Structure:
CAS RN: 883545-37-7
CAS Name: 1-(4-morpholinylmethyl)-1-cyclohexanamine
OPENEYE Name: 1-(morpholinomethyl)cyclohexanamine
IUPAC Name: 1-(morpholin-4-ylmethyl)cyclohexan-1-amine
SYSTEMATIC NAME: 1-(morpholin-4-ylmethyl)cyclohexan-1-amine
MOLECULAR FORMULA: C11H22N2O
MOLECULAR WEIGHT: 198.30518
SMILES: C1CCC(CC1)(CN2CCOCC2)N
Structure:
CAS RN: 32743-18-3
CAS Name: [2-(1-piperidinylmethyl)phenyl]methanamine
OPENEYE Name: [2-(1-piperidylmethyl)phenyl]methanamine
IUPAC Name: [2-(piperidin-1-ylmethyl)phenyl]methanamine
SYSTEMATIC NAME: [2-(piperidin-1-ylmethyl)phenyl]methanamine
MOLECULAR FORMULA: C13H20N2
MOLECULAR WEIGHT: 204.3113
SMILES: C1CCN(CC1)CC2=CC=CC=C2CN
Structure:
CAS RN: 248588-33-2
CAS Name: 1-(3-fluorophenyl)-1-cyclopropanecarboxylic acid
OPENEYE Name: 1-(3-fluorophenyl)cyclopropanecarboxylic acid
IUPAC Name: 1-(3-fluorophenyl)cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 1-(3-fluorophenyl)cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C10H9FO2
MOLECULAR WEIGHT: 180.175663
SMILES: C1CC1(C2=CC(=CC=C2)F)C(=O)O
Structure:
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