Saturday, September 29, 2012

http://ChemLookup.com Compounds




CAS RN: 6225-86-1
CAS Name: 2-[methyl(prop-2-enyl)phosphoryl]oxypropane
OPENEYE Name: 2-[allyl(methyl)phosphoryl]oxypropane
IUPAC Name: 2-[methyl(prop-2-enyl)phosphoryl]oxypropane
SYSTEMATIC NAME: 2-[methyl(prop-2-enyl)phosphoryl]oxypropane
MOLECULAR FORMULA: C7H15O2P
MOLECULAR WEIGHT: 162.166561
SMILES: CC(C)OP(=O)(C)CC=C
Structure:

CAS RN: 6211-59-2
CAS Name: 1,1-dioxo-2,3-dihydrothiophen-3-ol
OPENEYE Name: 1,1-dioxo-2,3-dihydrothiophen-3-ol
IUPAC Name: 1,1-dioxo-2,3-dihydrothiophen-3-ol
SYSTEMATIC NAME: 1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-ol
MOLECULAR FORMULA: C4H6O3S
MOLECULAR WEIGHT: 134.15364
SMILES: C1C(C=CS1(=O)=O)O
Structure:

CAS RN: 6209-75-2
CAS Name: 1-chloro-1-ethynylcyclohexane
OPENEYE Name: 1-chloro-1-ethynyl-cyclohexane
IUPAC Name: 1-chloro-1-ethynylcyclohexane
SYSTEMATIC NAME: 1-chloranyl-1-ethynyl-cyclohexane
MOLECULAR FORMULA: C8H11Cl
MOLECULAR WEIGHT: 142.62594
SMILES: C#CC1(CCCCC1)Cl
Structure:

CAS RN: 6205-09-0
CAS Name: 2-methyl-N-(2-methylphenyl)-2-(propylamino)propanamide hydrochloride
OPENEYE Name: 2-methyl-N-(o-tolyl)-2-(propylamino)propanamide hydrochloride
IUPAC Name: 2-methyl-N-(2-methylphenyl)-2-(propylamino)propanamide hydrochloride
SYSTEMATIC NAME: 2-methyl-N-(2-methylphenyl)-2-(propylamino)propanamide hydrochloride
MOLECULAR FORMULA: C14H23ClN2O
MOLECULAR WEIGHT: 270.79822
SMILES: CCCNC(C)(C)C(=O)NC1=CC=CC=C1C.Cl
Structure:

CAS RN: 6204-50-8
CAS Name: 2-[(6-ethyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-N-methylethanamine hydrochloride
OPENEYE Name: 2-[(6-ethyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-N-methyl-ethanamine hydrochloride
IUPAC Name: 2-[(6-ethyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-N-methylethanamine hydrochloride
SYSTEMATIC NAME: 2-[(6-ethyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-N-methyl-ethanamine hydrochloride
MOLECULAR FORMULA: C13H20ClNO3
MOLECULAR WEIGHT: 273.7558
SMILES: CCC1=C(C2=C(C=C1)OCCO2)OCCNC.Cl
Structure:

CAS RN: 6200-65-3
CAS Name: 1,4,5-trimethyl-2-nitroimidazole
OPENEYE Name: 1,4,5-trimethyl-2-nitro-imidazole
IUPAC Name: 1,4,5-trimethyl-2-nitroimidazole
SYSTEMATIC NAME: 1,4,5-trimethyl-2-nitro-imidazole
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CC1=C(N(C(=N1)[N+](=O)[O-])C)C
Structure:

CAS RN: 6198-57-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H34ClNO2
MOLECULAR WEIGHT: 379.96386
SMILES: C[C@@]12CCCC3(C1CCC45C3CCC(C4)C(=C)[C@@H]5O)C6N(C2)CCO6.Cl
Structure:

CAS RN: 6197-39-3
CAS Name: 1,2,3,6-tetrahydropyridine-5-carboxylic acid methyl ester hydrochloride
OPENEYE Name: methyl 1,2,3,6-tetrahydropyridine-5-carboxylate hydrochloride
IUPAC Name: methyl 1,2,3,6-tetrahydropyridine-5-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 1,2,3,6-tetrahydropyridine-5-carboxylate hydrochloride
MOLECULAR FORMULA: C7H12ClNO2
MOLECULAR WEIGHT: 177.62868
SMILES: COC(=O)C1=CCCNC1.Cl
Structure:

CAS RN: 6192-64-9
CAS Name: 2-(4-hexoxyphenyl)-2-hydroxy-2-phenylacetic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 2-(4-hexoxyphenyl)-2-hydroxy-2-phenyl-acetate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl 2-(4-hexoxyphenyl)-2-hydroxy-2-phenylacetate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-(4-hexoxyphenyl)-2-oxidanyl-2-phenyl-ethanoate hydrochloride
MOLECULAR FORMULA: C26H38ClNO4
MOLECULAR WEIGHT: 464.03722
SMILES: CCCCCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCCN(CC)CC)O.Cl
Structure:

CAS RN: 6192-29-6
CAS Name: (2S,5R,6R)-6-[[2-(butylthio)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[(2-butylsulfanylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[(2-butylsulfanylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-(2-butylsulfanylethanoylamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C14H22N2O4S2
MOLECULAR WEIGHT: 346.46548
SMILES: CCCCSCC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O
Structure:

CAS RN: 6191-56-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CC(=O)OC1=C(C2=C(C[C@@H]3C4=C2C=CC=C4CCN3C)C=C1)OC(=O)C
Structure:

CAS RN: 6188-78-9
CAS Name: 2-(dodecylthio)butanedioic acid
OPENEYE Name: 2-dodecylsulfanylbutanedioic acid
IUPAC Name: 2-dodecylsulfanylbutanedioic acid
SYSTEMATIC NAME: 2-dodecylsulfanylbutanedioic acid
MOLECULAR FORMULA: C16H30O4S
MOLECULAR WEIGHT: 318.472
SMILES: CCCCCCCCCCCCSC(CC(=O)O)C(=O)O
Structure:

CAS RN: 6188-02-9
CAS Name: 2-[[oxo(3-pyridinyl)methyl]amino]benzoic acid
OPENEYE Name: 2-(pyridine-3-carbonylamino)benzoic acid
IUPAC Name: 2-(pyridine-3-carbonylamino)benzoic acid
SYSTEMATIC NAME: 2-(pyridin-3-ylcarbonylamino)benzoic acid
MOLECULAR FORMULA: C13H10N2O3
MOLECULAR WEIGHT: 242.2301
SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CN=CC=C2
Structure:

CAS RN: 6170-70-3
CAS Name: 2-[2-[[(4-methylphenyl)-oxomethyl]amino]phenoxy]acetic acid
OPENEYE Name: 2-[2-[(4-methylbenzoyl)amino]phenoxy]acetic acid
IUPAC Name: 2-[2-[(4-methylbenzoyl)amino]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(4-methylphenyl)carbonylamino]phenoxy]ethanoic acid
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OCC(=O)O
Structure:

CAS RN: 6170-65-6
CAS Name: 2-(2-benzamidophenoxy)acetic acid
OPENEYE Name: 2-(2-benzamidophenoxy)acetic acid
IUPAC Name: 2-(2-benzamidophenoxy)acetic acid
SYSTEMATIC NAME: 2-(2-benzamidophenoxy)ethanoic acid
MOLECULAR FORMULA: C15H13NO4
MOLECULAR WEIGHT: 271.26802
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OCC(=O)O
Structure:

CAS RN: 6170-26-9
CAS Name: 1-(4-aminophenyl)-1-propanone; sulfuric acid
OPENEYE Name: 1-(4-aminophenyl)propan-1-one; sulfuric acid
IUPAC Name: 1-(4-aminophenyl)propan-1-one; sulfuric acid
SYSTEMATIC NAME: 1-(4-aminophenyl)propan-1-one; sulfuric acid
MOLECULAR FORMULA: C18H24N2O6S
MOLECULAR WEIGHT: 396.45796
SMILES: CCC(=O)C1=CC=C(C=C1)N.CCC(=O)C1=CC=C(C=C1)N.OS(=O)(=O)O
Structure:

CAS RN: 6160-33-4
CAS Name: carbamic acid [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3,6-diamino-1-oxohexyl]amino]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl] ester hydrochloride
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3,6-diaminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate hydrochloride
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3,6-diaminohexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate hydrochloride
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-oxidanyl-4-oxidanylidene-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3,6-bis(azanyl)hexanoyl]amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate hydrochloride
MOLECULAR FORMULA: C19H35ClN8O8
MOLECULAR WEIGHT: 538.983
SMILES: C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O.Cl
Structure:

CAS RN: 85-17-6
CAS Name: 2-[3-(diaminomethylideneamino)-2,4,5,6-tetrahydroxycyclohexyl]guanidine
OPENEYE Name: 2-(3-guanidino-2,4,5,6-tetrahydroxy-cyclohexyl)guanidine
IUPAC Name: 2-[3-(diaminomethylideneamino)-2,4,5,6-tetrahydroxycyclohexyl]guanidine
SYSTEMATIC NAME: 2-[3-[bis(azanyl)methylideneamino]-2,4,5,6-tetrakis(oxidanyl)cyclohexyl]guanidine
MOLECULAR FORMULA: C8H18N6O4
MOLECULAR WEIGHT: 262.26632
SMILES: C1(C(C(C(C(C1O)O)O)N=C(N)N)O)N=C(N)N
Structure:

CAS RN: 6159-39-3
CAS Name: 1,1-diphenyl-2-(1-piperidinyl)-1-propanol hydrochloride
OPENEYE Name: 1,1-diphenyl-2-(1-piperidyl)propan-1-ol hydrochloride
IUPAC Name: 1,1-diphenyl-2-piperidin-1-ylpropan-1-ol hydrochloride
SYSTEMATIC NAME: 1,1-diphenyl-2-piperidin-1-yl-propan-1-ol hydrochloride
MOLECULAR FORMULA: C20H26ClNO
MOLECULAR WEIGHT: 331.87954
SMILES: CC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N3CCCCC3.Cl
Structure:

CAS RN: 6155-47-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H44BrNO2
MOLECULAR WEIGHT: 494.54776
SMILES: C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)O)C)C.Br
Structure:

CAS RN: 6152-95-0
CAS Name: 1,2,2,6,6-pentamethylpiperidine hydrochloride
OPENEYE Name: 1,2,2,6,6-pentamethylpiperidine hydrochloride
IUPAC Name: 1,2,2,6,6-pentamethylpiperidine hydrochloride
SYSTEMATIC NAME: 1,2,2,6,6-pentamethylpiperidine hydrochloride
MOLECULAR FORMULA: C10H22ClN
MOLECULAR WEIGHT: 191.74138
SMILES: CC1(CCCC(N1C)(C)C)C.Cl
Structure:

CAS RN: 6139-36-2
CAS Name: 6,6-dicyclohexyl-2-piperidinone
OPENEYE Name: 6,6-dicyclohexylpiperidin-2-one
IUPAC Name: 6,6-dicyclohexylpiperidin-2-one
SYSTEMATIC NAME: 6,6-dicyclohexylpiperidin-2-one
MOLECULAR FORMULA: C17H29NO
MOLECULAR WEIGHT: 263.41826
SMILES: C1CCC(CC1)C2(CCCC(=O)N2)C3CCCCC3
Structure:

CAS RN: 6139-35-1
CAS Name: 6-butyl-6-cyclohexyl-2-piperidinone
OPENEYE Name: 6-butyl-6-cyclohexyl-piperidin-2-one
IUPAC Name: 6-butyl-6-cyclohexylpiperidin-2-one
SYSTEMATIC NAME: 6-butyl-6-cyclohexyl-piperidin-2-one
MOLECULAR FORMULA: C15H27NO
MOLECULAR WEIGHT: 237.38098
SMILES: CCCCC1(CCCC(=O)N1)C2CCCCC2
Structure:

CAS RN: 6139-34-0
CAS Name: 6-ethyl-6-phenyl-2-piperidinone
OPENEYE Name: 6-ethyl-6-phenyl-piperidin-2-one
IUPAC Name: 6-ethyl-6-phenylpiperidin-2-one
SYSTEMATIC NAME: 6-ethyl-6-phenyl-piperidin-2-one
MOLECULAR FORMULA: C13H17NO
MOLECULAR WEIGHT: 203.28018
SMILES: CCC1(CCCC(=O)N1)C2=CC=CC=C2
Structure:

CAS RN: 6139-33-9
CAS Name: 5-cyclohexyl-5-propyl-2-pyrrolidinone
OPENEYE Name: 5-cyclohexyl-5-propyl-pyrrolidin-2-one
IUPAC Name: 5-cyclohexyl-5-propylpyrrolidin-2-one
SYSTEMATIC NAME: 5-cyclohexyl-5-propyl-pyrrolidin-2-one
MOLECULAR FORMULA: C13H23NO
MOLECULAR WEIGHT: 209.32782
SMILES: CCCC1(CCC(=O)N1)C2CCCCC2
Structure:

CAS RN: 6139-32-8
CAS Name: 5-cyclohexyl-5-ethyl-2-pyrrolidinone
OPENEYE Name: 5-cyclohexyl-5-ethyl-pyrrolidin-2-one
IUPAC Name: 5-cyclohexyl-5-ethylpyrrolidin-2-one
SYSTEMATIC NAME: 5-cyclohexyl-5-ethyl-pyrrolidin-2-one
MOLECULAR FORMULA: C12H21NO
MOLECULAR WEIGHT: 195.30124
SMILES: CCC1(CCC(=O)N1)C2CCCCC2
Structure:

CAS RN: 6139-31-7
CAS Name: 5-cyclohexyl-5-methyl-2-pyrrolidinone
OPENEYE Name: 5-cyclohexyl-5-methyl-pyrrolidin-2-one
IUPAC Name: 5-cyclohexyl-5-methylpyrrolidin-2-one
SYSTEMATIC NAME: 5-cyclohexyl-5-methyl-pyrrolidin-2-one
MOLECULAR FORMULA: C11H19NO
MOLECULAR WEIGHT: 181.27466
SMILES: CC1(CCC(=O)N1)C2CCCCC2
Structure:

CAS RN: 6139-29-3
CAS Name: 5-ethyl-5-(4-methoxyphenyl)-2-pyrrolidinone
OPENEYE Name: 5-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
IUPAC Name: 5-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
SYSTEMATIC NAME: 5-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: CCC1(CCC(=O)N1)C2=CC=C(C=C2)OC
Structure:

CAS RN: 6139-27-1
CAS Name: 5-butyl-5-phenyl-2-pyrrolidinone
OPENEYE Name: 5-butyl-5-phenyl-pyrrolidin-2-one
IUPAC Name: 5-butyl-5-phenylpyrrolidin-2-one
SYSTEMATIC NAME: 5-butyl-5-phenyl-pyrrolidin-2-one
MOLECULAR FORMULA: C14H19NO
MOLECULAR WEIGHT: 217.30676
SMILES: CCCCC1(CCC(=O)N1)C2=CC=CC=C2
Structure:

CAS RN: 6139-25-9
CAS Name: 5-phenyl-5-propyl-2-pyrrolidinone
OPENEYE Name: 5-phenyl-5-propyl-pyrrolidin-2-one
IUPAC Name: 5-phenyl-5-propylpyrrolidin-2-one
SYSTEMATIC NAME: 5-phenyl-5-propyl-pyrrolidin-2-one
MOLECULAR FORMULA: C13H17NO
MOLECULAR WEIGHT: 203.28018
SMILES: CCCC1(CCC(=O)N1)C2=CC=CC=C2
Structure:

CAS RN: 6128-29-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H34ClNO2
MOLECULAR WEIGHT: 379.96386
SMILES: C[C@]12CCCC3([C@@H]1CCC45[C@H]3CC[C@H](C4)C(=C)[C@H]5O)CN6[C@@H]2OCC6.Cl
Structure:

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