Saturday, August 27, 2011

http://ChemLookup.com Compounds




CAS RN: 192872-58-5
CAS Name: 2-(phenylmethyl)piperidine hydrochloride
OPENEYE Name: 2-benzylpiperidine hydrochloride
IUPAC Name: 2-benzylpiperidine hydrochloride
SYSTEMATIC NAME: 2-(phenylmethyl)piperidine hydrochloride
MOLECULAR FORMULA: C12H18ClN
MOLECULAR WEIGHT: 211.73102
SMILES: C1CCNC(C1)CC2=CC=CC=C2.Cl
Structure:

CAS RN: 915402-14-1
CAS Name: 2-(5-bromo-2-thiophenyl)piperidine hydrobromide
OPENEYE Name: 2-(5-bromo-2-thienyl)piperidine hydrobromide
IUPAC Name: 2-(5-bromothiophen-2-yl)piperidine hydrobromide
SYSTEMATIC NAME: 2-(5-bromanylthiophen-2-yl)piperidine hydrobromide
MOLECULAR FORMULA: C9H13Br2NS
MOLECULAR WEIGHT: 327.07922
SMILES: C1CCNC(C1)C2=CC=C(S2)Br.Br
Structure:

CAS RN: 90607-21-9
CAS Name: 5-tert-butyl-3-isoxazolecarboxylic acid
OPENEYE Name: 5-tert-butylisoxazole-3-carboxylic acid
IUPAC Name: 5-tert-butyl-1,2-oxazole-3-carboxylic acid
SYSTEMATIC NAME: 5-tert-butyl-1,2-oxazole-3-carboxylic acid
MOLECULAR FORMULA: C8H11NO3
MOLECULAR WEIGHT: 169.17784
SMILES: CC(C)(C)C1=CC(=NO1)C(=O)O
Structure:

CAS RN: 540526-01-0
CAS Name: 2-propan-2-ylpyrrolidine hydrochloride
OPENEYE Name: 2-isopropylpyrrolidine hydrochloride
IUPAC Name: 2-propan-2-ylpyrrolidine hydrochloride
SYSTEMATIC NAME: 2-propan-2-ylpyrrolidine hydrochloride
MOLECULAR FORMULA: C7H16ClN
MOLECULAR WEIGHT: 149.66164
SMILES: CC(C)C1CCCN1.Cl
Structure:

CAS RN: 36739-73-8
CAS Name: 1,4,5-trimethyltetrazol-1-ium iodide
OPENEYE Name: 1,4,5-trimethyltetrazol-1-ium iodide
IUPAC Name: 1,4,5-trimethyltetrazol-1-ium iodide
SYSTEMATIC NAME: 1,4,5-trimethyl-1,2,3,4-tetrazol-1-ium iodide
MOLECULAR FORMULA: C4H9IN4
MOLECULAR WEIGHT: 240.04553
SMILES: CC1=[N+](N=NN1C)C.[I-]
Structure:

CAS RN: 71332-62-2
CAS Name: [2-(4-bromophenyl)-2-oxoethyl]-triethylammonium bromide
OPENEYE Name: [2-(4-bromophenyl)-2-oxo-ethyl]-triethyl-ammonium bromide
IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl]-triethylazanium bromide
SYSTEMATIC NAME: [2-(4-bromophenyl)-2-oxidanylidene-ethyl]-triethyl-azanium bromide
MOLECULAR FORMULA: C14H21Br2NO
MOLECULAR WEIGHT: 379.13064
SMILES: CC[N+](CC)(CC)CC(=O)C1=CC=C(C=C1)Br.[Br-]
Structure:

CAS RN: 6954-94-5
CAS Name: 1-(4-bromophenyl)-2-(3-bromo-1-pyridin-1-iumyl)ethanone bromide
OPENEYE Name: 1-(4-bromophenyl)-2-(3-bromopyridin-1-ium-1-yl)ethanone bromide
IUPAC Name: 1-(4-bromophenyl)-2-(3-bromopyridin-1-ium-1-yl)ethanone bromide
SYSTEMATIC NAME: 2-(3-bromanylpyridin-1-ium-1-yl)-1-(4-bromophenyl)ethanone bromide
MOLECULAR FORMULA: C13H10Br3NO
MOLECULAR WEIGHT: 435.9366
SMILES: C1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)Br)Br.[Br-]
Structure:

CAS RN: 63374-35-6
CAS Name: 2-(3-chloro-1-pyridin-1-iumyl)-1-phenylethanone bromide
OPENEYE Name: 2-(3-chloropyridin-1-ium-1-yl)-1-phenyl-ethanone bromide
IUPAC Name: 2-(3-chloropyridin-1-ium-1-yl)-1-phenylethanone bromide
SYSTEMATIC NAME: 2-(3-chloranylpyridin-1-ium-1-yl)-1-phenyl-ethanone bromide
MOLECULAR FORMULA: C13H11BrClNO
MOLECULAR WEIGHT: 312.58954
SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)Cl.[Br-]
Structure:

CAS RN: 85137-09-3
CAS Name: 4-ethoxybenzene-1,2-diamine; sulfuric acid
OPENEYE Name: 4-ethoxybenzene-1,2-diamine; sulfuric acid
IUPAC Name: 4-ethoxybenzene-1,2-diamine; sulfuric acid
SYSTEMATIC NAME: 4-ethoxybenzene-1,2-diamine; sulfuric acid
MOLECULAR FORMULA: C8H14N2O5S
MOLECULAR WEIGHT: 250.27216
SMILES: CCOC1=CC(=C(C=C1)N)N.OS(=O)(=O)O
Structure:

CAS RN: 33543-79-2
CAS Name: 1-methyl-2-imidazolecarbohydrazide
OPENEYE Name: 1-methylimidazole-2-carbohydrazide
IUPAC Name: 1-methylimidazole-2-carbohydrazide
SYSTEMATIC NAME: 1-methylimidazole-2-carbohydrazide
MOLECULAR FORMULA: C5H8N4O
MOLECULAR WEIGHT: 140.14322
SMILES: CN1C=CN=C1C(=O)NN
Structure:

CAS RN: 470713-29-2
CAS Name: (5E)-5-[(5-chloro-2-thiophenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: (5E)-5-[(5-chloro-2-thienyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5E)-5-[(5-chloranylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C8H4ClNOS3
MOLECULAR WEIGHT: 261.77146
SMILES: C1=C(SC(=C1)Cl)/C=C/2\C(=O)NC(=S)S2
Structure:

CAS RN: 91242-61-4
CAS Name: 6-azoniaspiro[5.6]dodecane bromide
OPENEYE Name: 6-azoniaspiro[5.6]dodecane bromide
IUPAC Name: 6-azoniaspiro[5.6]dodecane bromide
SYSTEMATIC NAME: 6-azoniaspiro[5.6]dodecane bromide
MOLECULAR FORMULA: C11H22BrN
MOLECULAR WEIGHT: 248.20308
SMILES: C1CCC[N+]2(CC1)CCCCC2.[Br-]
Structure:

CAS RN: 92320-99-5
CAS Name: 2-cyclohexyl-2-phenylethanamine hydrochloride
OPENEYE Name: 2-cyclohexyl-2-phenyl-ethanamine hydrochloride
IUPAC Name: 2-cyclohexyl-2-phenylethanamine hydrochloride
SYSTEMATIC NAME: 2-cyclohexyl-2-phenyl-ethanamine hydrochloride
MOLECULAR FORMULA: C14H22ClN
MOLECULAR WEIGHT: 239.78418
SMILES: C1CCC(CC1)C(CN)C2=CC=CC=C2.Cl
Structure:

CAS RN: 1050161-23-3
CAS Name: 6-bromo-1,2,3,4-tetrahydroquinoline hydrochloride
OPENEYE Name: 6-bromo-1,2,3,4-tetrahydroquinoline hydrochloride
IUPAC Name: 6-bromo-1,2,3,4-tetrahydroquinoline hydrochloride
SYSTEMATIC NAME: 6-bromanyl-1,2,3,4-tetrahydroquinoline hydrochloride
MOLECULAR FORMULA: C9H11BrClN
MOLECULAR WEIGHT: 248.54734
SMILES: C1CC2=C(C=CC(=C2)Br)NC1.Cl
Structure:

CAS RN: 6320-92-9
CAS Name: 1-(4-bromophenyl)-2-(1-quinolin-1-iumyl)ethanone iodide
OPENEYE Name: 1-(4-bromophenyl)-2-quinolin-1-ium-1-yl-ethanone iodide
IUPAC Name: 1-(4-bromophenyl)-2-quinolin-1-ium-1-ylethanone iodide
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-quinolin-1-ium-1-yl-ethanone iodide
MOLECULAR FORMULA: C17H13BrINO
MOLECULAR WEIGHT: 454.09969
SMILES: C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)C3=CC=C(C=C3)Br.[I-]
Structure:

CAS RN: 102207-59-0
CAS Name: 1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
OPENEYE Name: 1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
IUPAC Name: 1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
SYSTEMATIC NAME: 1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
MOLECULAR FORMULA: C17H16ClN3O2
MOLECULAR WEIGHT: 329.78084
SMILES: C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)[N+](=O)[O-].Cl
Structure:

CAS RN: 20412-53-7
CAS Name: 2-methyl-N-prop-2-ynyl-2-propanamine hydrochloride
OPENEYE Name: 2-methyl-N-prop-2-ynyl-propan-2-amine hydrochloride
IUPAC Name: 2-methyl-N-prop-2-ynylpropan-2-amine hydrochloride
SYSTEMATIC NAME: 2-methyl-N-prop-2-ynyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C7H14ClN
MOLECULAR WEIGHT: 147.64576
SMILES: CC(C)(C)NCC#C.Cl
Structure:

CAS RN: 53942-89-5
CAS Name: 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine hydrochloride
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-N-methyl-methanamine hydrochloride
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine hydrochloride
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-N-methyl-methanamine hydrochloride
MOLECULAR FORMULA: C9H12ClNO2
MOLECULAR WEIGHT: 201.65008
SMILES: CNCC1=CC2=C(C=C1)OCO2.Cl
Structure:

CAS RN: 102339-13-9
CAS Name: 1-phenyl-N-(thiophen-2-ylmethyl)methanamine hydrochloride
OPENEYE Name: 1-phenyl-N-(2-thienylmethyl)methanamine hydrochloride
IUPAC Name: 1-phenyl-N-(thiophen-2-ylmethyl)methanamine hydrochloride
SYSTEMATIC NAME: 1-phenyl-N-(thiophen-2-ylmethyl)methanamine hydrochloride
MOLECULAR FORMULA: C12H14ClNS
MOLECULAR WEIGHT: 239.76426
SMILES: C1=CC=C(C=C1)CNCC2=CC=CS2.Cl
Structure:

CAS RN: 942473-93-0
CAS Name: 6-chloro-4-fluoro-1,3-benzothiazol-2-amine
OPENEYE Name: 6-chloro-4-fluoro-1,3-benzothiazol-2-amine
IUPAC Name: 6-chloro-4-fluoro-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 6-chloranyl-4-fluoranyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C7H4ClFN2S
MOLECULAR WEIGHT: 202.636463
SMILES: C1=C(C=C(C2=C1SC(=N2)N)F)Cl
Structure:

CAS RN: 681126-45-4
CAS Name: 6-bromo-4-methyl-1,3-benzothiazol-2-amine
OPENEYE Name: 6-bromo-4-methyl-1,3-benzothiazol-2-amine
IUPAC Name: 6-bromo-4-methyl-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 6-bromanyl-4-methyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C8H7BrN2S
MOLECULAR WEIGHT: 243.12358
SMILES: CC1=CC(=CC2=C1N=C(S2)N)Br
Structure:

CAS RN: 13148-61-3
CAS Name: 2-ethyl-1,3,4-oxadiazole
OPENEYE Name: 2-ethyl-1,3,4-oxadiazole
IUPAC Name: 2-ethyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-ethyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C4H6N2O
MOLECULAR WEIGHT: 98.10324
SMILES: CCC1=NN=CO1
Structure:

CAS RN: 946679-47-6
CAS Name: 3-[(4-amino-1-piperidinyl)methyl]phenol
OPENEYE Name: 3-[(4-amino-1-piperidyl)methyl]phenol
IUPAC Name: 3-[(4-aminopiperidin-1-yl)methyl]phenol
SYSTEMATIC NAME: 3-[(4-azanylpiperidin-1-yl)methyl]phenol
MOLECULAR FORMULA: C12H18N2O
MOLECULAR WEIGHT: 206.28412
SMILES: C1CN(CCC1N)CC2=CC(=CC=C2)O
Structure:

CAS RN: 55154-89-7
CAS Name: 2-(3-chlorophenyl)ethanimidamide
OPENEYE Name: 2-(3-chlorophenyl)acetamidine
IUPAC Name: 2-(3-chlorophenyl)ethanimidamide
SYSTEMATIC NAME: 2-(3-chlorophenyl)ethanimidamide
MOLECULAR FORMULA: C8H9ClN2
MOLECULAR WEIGHT: 168.62346
SMILES: C1=CC(=CC(=C1)Cl)CC(=N)N
Structure:

CAS RN: 244255-92-3
CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazinyl]acetic acid
OPENEYE Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid
IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid
SYSTEMATIC NAME: 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoic acid
MOLECULAR FORMULA: C10H14N4O2
MOLECULAR WEIGHT: 222.24376
SMILES: C1CN(CCN1CC(=O)O)C2=NC=CC=N2
Structure:

CAS RN: 119378-70-0
CAS Name: 2-(4-phenyl-1-piperazinyl)acetic acid hydrochloride
OPENEYE Name: 2-(4-phenylpiperazin-1-yl)acetic acid hydrochloride
IUPAC Name: 2-(4-phenylpiperazin-1-yl)acetic acid hydrochloride
SYSTEMATIC NAME: 2-(4-phenylpiperazin-1-yl)ethanoic acid hydrochloride
MOLECULAR FORMULA: C12H17ClN2O2
MOLECULAR WEIGHT: 256.72858
SMILES: C1CN(CCN1CC(=O)O)C2=CC=CC=C2.Cl
Structure:

CAS RN: 854778-47-5
CAS Name: 1-ethyl-6-indolecarboxaldehyde
OPENEYE Name: 1-ethylindole-6-carbaldehyde
IUPAC Name: 1-ethylindole-6-carbaldehyde
SYSTEMATIC NAME: 1-ethylindole-6-carbaldehyde
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: CCN1C=CC2=C1C=C(C=C2)C=O
Structure:

CAS RN: 192997-34-5
CAS Name: 1-[(4-methylphenyl)methyl]-6-indolecarboxaldehyde
OPENEYE Name: 1-(p-tolylmethyl)indole-6-carbaldehyde
IUPAC Name: 1-[(4-methylphenyl)methyl]indole-6-carbaldehyde
SYSTEMATIC NAME: 1-[(4-methylphenyl)methyl]indole-6-carbaldehyde
MOLECULAR FORMULA: C17H15NO
MOLECULAR WEIGHT: 249.3071
SMILES: CC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C=O
Structure:

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