Saturday, August 27, 2011

http://ChemLookup.com Compounds




CAS RN: 944893-74-7
CAS Name: 1-ethyl-5-indolecarboxaldehyde
OPENEYE Name: 1-ethylindole-5-carbaldehyde
IUPAC Name: 1-ethylindole-5-carbaldehyde
SYSTEMATIC NAME: 1-ethylindole-5-carbaldehyde
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: CCN1C=CC2=C1C=CC(=C2)C=O
Structure:

CAS RN: 894852-86-9
CAS Name: 1-ethyl-4-indolecarboxaldehyde
OPENEYE Name: 1-ethylindole-4-carbaldehyde
IUPAC Name: 1-ethylindole-4-carbaldehyde
SYSTEMATIC NAME: 1-ethylindole-4-carbaldehyde
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: CCN1C=CC2=C(C=CC=C21)C=O
Structure:

CAS RN: 133994-99-7
CAS Name: 1-methyl-4-indolecarboxaldehyde
OPENEYE Name: 1-methylindole-4-carbaldehyde
IUPAC Name: 1-methylindole-4-carbaldehyde
SYSTEMATIC NAME: 1-methylindole-4-carbaldehyde
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CN1C=CC2=C(C=CC=C21)C=O
Structure:

CAS RN: 916317-00-5
CAS Name: 4-(methoxymethyl)piperidine hydrochloride
OPENEYE Name: 4-(methoxymethyl)piperidine hydrochloride
IUPAC Name: 4-(methoxymethyl)piperidine hydrochloride
SYSTEMATIC NAME: 4-(methoxymethyl)piperidine hydrochloride
MOLECULAR FORMULA: C7H16ClNO
MOLECULAR WEIGHT: 165.66104
SMILES: COCC1CCNCC1.Cl
Structure:

CAS RN: 13541-46-3
CAS Name: 2-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine hydrochloride
OPENEYE Name: 2-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine hydrochloride
IUPAC Name: 2-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine hydrochloride
SYSTEMATIC NAME: 2-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine hydrochloride
MOLECULAR FORMULA: C15H16Cl3N
MOLECULAR WEIGHT: 316.65324
SMILES: C1=CC(=CC=C1CCNCC2=CC=C(C=C2)Cl)Cl.Cl
Structure:

CAS RN: 65367-95-5
CAS Name: 4-(2-methylphenoxy)piperidine hydrochloride
OPENEYE Name: 4-(2-methylphenoxy)piperidine hydrochloride
IUPAC Name: 4-(2-methylphenoxy)piperidine hydrochloride
SYSTEMATIC NAME: 4-(2-methylphenoxy)piperidine hydrochloride
MOLECULAR FORMULA: C12H18ClNO
MOLECULAR WEIGHT: 227.73042
SMILES: CC1=CC=CC=C1OC2CCNCC2.Cl
Structure:

CAS RN: 6302-24-5
CAS Name: 2-methyl-N-(2-phenylethyl)-1-propanamine hydrochloride
OPENEYE Name: 2-methyl-N-(2-phenylethyl)propan-1-amine hydrochloride
IUPAC Name: 2-methyl-N-(2-phenylethyl)propan-1-amine hydrochloride
SYSTEMATIC NAME: 2-methyl-N-(2-phenylethyl)propan-1-amine hydrochloride
MOLECULAR FORMULA: C12H20ClN
MOLECULAR WEIGHT: 213.7469
SMILES: CC(C)CNCCC1=CC=CC=C1.Cl
Structure:

CAS RN: 474711-51-8
CAS Name: 5-bromo-N,N-dimethyl-2-thiophenecarboxamide
OPENEYE Name: 5-bromo-N,N-dimethyl-thiophene-2-carboxamide
IUPAC Name: 5-bromo-N,N-dimethylthiophene-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N,N-dimethyl-thiophene-2-carboxamide
MOLECULAR FORMULA: C7H8BrNOS
MOLECULAR WEIGHT: 234.11352
SMILES: CN(C)C(=O)C1=CC=C(S1)Br
Structure:

CAS RN: 908518-19-4
CAS Name: 5-bromo-N-ethyl-2-thiophenecarboxamide
OPENEYE Name: 5-bromo-N-ethyl-thiophene-2-carboxamide
IUPAC Name: 5-bromo-N-ethylthiophene-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-ethyl-thiophene-2-carboxamide
MOLECULAR FORMULA: C7H8BrNOS
MOLECULAR WEIGHT: 234.11352
SMILES: CCNC(=O)C1=CC=C(S1)Br
Structure:

CAS RN: 908495-37-4
CAS Name: 4-[[(2-methyl-1-oxopropyl)amino]methyl]benzoic acid
OPENEYE Name: 4-[(2-methylpropanoylamino)methyl]benzoic acid
IUPAC Name: 4-[(2-methylpropanoylamino)methyl]benzoic acid
SYSTEMATIC NAME: 4-[(2-methylpropanoylamino)methyl]benzoic acid
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CC(C)C(=O)NCC1=CC=C(C=C1)C(=O)O
Structure:

CAS RN: 908494-87-1
CAS Name: 5-bromo-N-propan-2-yl-2-thiophenecarboxamide
OPENEYE Name: 5-bromo-N-isopropyl-thiophene-2-carboxamide
IUPAC Name: 5-bromo-N-propan-2-ylthiophene-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-propan-2-yl-thiophene-2-carboxamide
MOLECULAR FORMULA: C8H10BrNOS
MOLECULAR WEIGHT: 248.1401
SMILES: CC(C)NC(=O)C1=CC=C(S1)Br
Structure:

CAS RN: 908494-85-9
CAS Name: 5-bromo-N-propyl-2-thiophenecarboxamide
OPENEYE Name: 5-bromo-N-propyl-thiophene-2-carboxamide
IUPAC Name: 5-bromo-N-propylthiophene-2-carboxamide
SYSTEMATIC NAME: 5-bromanyl-N-propyl-thiophene-2-carboxamide
MOLECULAR FORMULA: C8H10BrNOS
MOLECULAR WEIGHT: 248.1401
SMILES: CCCNC(=O)C1=CC=C(S1)Br
Structure:

CAS RN: 908494-47-3
CAS Name: 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propanamide
OPENEYE Name: 3-chloro-N-indan-5-yl-propanamide
IUPAC Name: 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(2,3-dihydro-1H-inden-5-yl)propanamide
MOLECULAR FORMULA: C12H14ClNO
MOLECULAR WEIGHT: 223.69866
SMILES: C1CC2=C(C1)C=C(C=C2)NC(=O)CCCl
Structure:

CAS RN: 18014-78-3
CAS Name: N-(2-acetylphenyl)-3-chloropropanamide
OPENEYE Name: N-(2-acetylphenyl)-3-chloro-propanamide
IUPAC Name: N-(2-acetylphenyl)-3-chloropropanamide
SYSTEMATIC NAME: 3-chloranyl-N-(2-ethanoylphenyl)propanamide
MOLECULAR FORMULA: C11H12ClNO2
MOLECULAR WEIGHT: 225.67148
SMILES: CC(=O)C1=CC=CC=C1NC(=O)CCCl
Structure:

CAS RN: 364727-74-2
CAS Name: 3-pyridinylhydrazine dihydrochloride
OPENEYE Name: 3-pyridylhydrazine dihydrochloride
IUPAC Name: pyridin-3-ylhydrazine dihydrochloride
SYSTEMATIC NAME: pyridin-3-yldiazane dihydrochloride
MOLECULAR FORMULA: C5H9Cl2N3
MOLECULAR WEIGHT: 182.05106
SMILES: C1=CC(=CN=C1)NN.Cl.Cl
Structure:

CAS RN: 42166-50-7
CAS Name: 3-pyridinylhydrazine dihydrochloride
OPENEYE Name: 3-pyridylhydrazine dihydrochloride
IUPAC Name: pyridin-3-ylhydrazine dihydrochloride
SYSTEMATIC NAME: pyridin-3-yldiazane dihydrochloride
MOLECULAR FORMULA: C5H9Cl2N3
MOLECULAR WEIGHT: 182.05106
SMILES: C1=CC(=CN=C1)NN.Cl.Cl
Structure:

CAS RN: 915920-93-3
CAS Name: 3-chloro-N-(2-fluoro-5-methylphenyl)propanamide
OPENEYE Name: 3-chloro-N-(2-fluoro-5-methyl-phenyl)propanamide
IUPAC Name: 3-chloro-N-(2-fluoro-5-methylphenyl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(2-fluoranyl-5-methyl-phenyl)propanamide
MOLECULAR FORMULA: C10H11ClFNO
MOLECULAR WEIGHT: 215.651843
SMILES: CC1=CC(=C(C=C1)F)NC(=O)CCCl
Structure:

CAS RN: 915921-70-9
CAS Name: 3-chloro-N-(4-methoxy-2-methylphenyl)propanamide
OPENEYE Name: 3-chloro-N-(4-methoxy-2-methyl-phenyl)propanamide
IUPAC Name: 3-chloro-N-(4-methoxy-2-methylphenyl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(4-methoxy-2-methyl-phenyl)propanamide
MOLECULAR FORMULA: C11H14ClNO2
MOLECULAR WEIGHT: 227.68736
SMILES: CC1=C(C=CC(=C1)OC)NC(=O)CCCl
Structure:

CAS RN: 915923-95-4
CAS Name: 3-chloro-N-(2,5-difluorophenyl)propanamide
OPENEYE Name: 3-chloro-N-(2,5-difluorophenyl)propanamide
IUPAC Name: 3-chloro-N-(2,5-difluorophenyl)propanamide
SYSTEMATIC NAME: N-[2,5-bis(fluoranyl)phenyl]-3-chloranyl-propanamide
MOLECULAR FORMULA: C9H8ClF2NO
MOLECULAR WEIGHT: 219.615726
SMILES: C1=CC(=C(C=C1F)NC(=O)CCCl)F
Structure:

CAS RN: 915923-02-3
CAS Name: 2-(3-bromophenoxy)propanamide
OPENEYE Name: 2-(3-bromophenoxy)propanamide
IUPAC Name: 2-(3-bromophenoxy)propanamide
SYSTEMATIC NAME: 2-(3-bromanylphenoxy)propanamide
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: CC(C(=O)N)OC1=CC(=CC=C1)Br
Structure:

CAS RN: 915921-34-5
CAS Name: 4-methyl-3-(1-oxopentylamino)benzoic acid
OPENEYE Name: 4-methyl-3-(pentanoylamino)benzoic acid
IUPAC Name: 4-methyl-3-(pentanoylamino)benzoic acid
SYSTEMATIC NAME: 4-methyl-3-(pentanoylamino)benzoic acid
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: CCCCC(=O)NC1=C(C=CC(=C1)C(=O)O)C
Structure:

CAS RN: 915921-48-1
CAS Name: 4-methyl-3-(1-oxobutylamino)benzoic acid
OPENEYE Name: 3-(butanoylamino)-4-methyl-benzoic acid
IUPAC Name: 3-(butanoylamino)-4-methylbenzoic acid
SYSTEMATIC NAME: 3-(butanoylamino)-4-methyl-benzoic acid
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CCCC(=O)NC1=C(C=CC(=C1)C(=O)O)C
Structure:

CAS RN: 915924-05-9
CAS Name: 3-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
OPENEYE Name: 3-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
IUPAC Name: 3-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
MOLECULAR FORMULA: C8H10ClN3OS
MOLECULAR WEIGHT: 231.7025
SMILES: C1CC1C2=NN=C(S2)NC(=O)CCCl
Structure:

CAS RN: 6397-38-2
CAS Name: 3-chloro-N-[2-(methylthio)phenyl]propanamide
OPENEYE Name: 3-chloro-N-(2-methylsulfanylphenyl)propanamide
IUPAC Name: 3-chloro-N-(2-methylsulfanylphenyl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(2-methylsulfanylphenyl)propanamide
MOLECULAR FORMULA: C10H12ClNOS
MOLECULAR WEIGHT: 229.72638
SMILES: CSC1=CC=CC=C1NC(=O)CCCl
Structure:

CAS RN: 55579-77-6
CAS Name: 5-(2-methoxyphenyl)cyclohexane-1,3-dione
OPENEYE Name: 5-(2-methoxyphenyl)cyclohexane-1,3-dione
IUPAC Name: 5-(2-methoxyphenyl)cyclohexane-1,3-dione
SYSTEMATIC NAME: 5-(2-methoxyphenyl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: COC1=CC=CC=C1C2CC(=O)CC(=O)C2
Structure:

CAS RN: 470463-36-6
CAS Name: N-(5-iodo-2-pyridinyl)-2,2-dimethylpropanamide
OPENEYE Name: N-(5-iodo-2-pyridyl)-2,2-dimethyl-propanamide
IUPAC Name: N-(5-iodopyridin-2-yl)-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-(5-iodanylpyridin-2-yl)-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C10H13IN2O
MOLECULAR WEIGHT: 304.12749
SMILES: CC(C)(C)C(=O)NC1=NC=C(C=C1)I
Structure:

CAS RN: 15386-87-5
CAS Name: 3-(3-ethoxyanilino)-3-oxopropanoic acid ethyl ester
OPENEYE Name: ethyl 3-(3-ethoxyanilino)-3-oxo-propanoate
IUPAC Name: ethyl 3-(3-ethoxyanilino)-3-oxopropanoate
SYSTEMATIC NAME: ethyl 3-[(3-ethoxyphenyl)amino]-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C13H17NO4
MOLECULAR WEIGHT: 251.27838
SMILES: CCOC1=CC=CC(=C1)NC(=O)CC(=O)OCC
Structure:

CAS RN: 889939-56-4
CAS Name: 6-[(2-methylpropan-2-yl)oxy-oxomethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
OPENEYE Name: 6-tert-butoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
IUPAC Name: 6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SYSTEMATIC NAME: 6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
MOLECULAR FORMULA: C13H17NO4S
MOLECULAR WEIGHT: 283.34338
SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)SC=C2C(=O)O
Structure:

CAS RN: 103040-54-6
CAS Name: 3-chloro-N-[(3-chlorophenyl)methyl]propanamide
OPENEYE Name: 3-chloro-N-[(3-chlorophenyl)methyl]propanamide
IUPAC Name: 3-chloro-N-[(3-chlorophenyl)methyl]propanamide
SYSTEMATIC NAME: 3-chloranyl-N-[(3-chlorophenyl)methyl]propanamide
MOLECULAR FORMULA: C10H11Cl2NO
MOLECULAR WEIGHT: 232.10644
SMILES: C1=CC(=CC(=C1)Cl)CNC(=O)CCCl
Structure:

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