Thursday, June 28, 2012

http://ChemLookup.com Compounds




CAS RN: 63656-12-2
CAS Name: N-(3-chloropropyl)carbamic acid methyl ester
OPENEYE Name: methyl N-(3-chloropropyl)carbamate
IUPAC Name: methyl N-(3-chloropropyl)carbamate
SYSTEMATIC NAME: methyl N-(3-chloranylpropyl)carbamate
MOLECULAR FORMULA: C5H10ClNO2
MOLECULAR WEIGHT: 151.5914
SMILES: COC(=O)NCCCCl
Structure:

CAS RN: 63656-08-6
CAS Name: 1-hydroxy-3-methyl-1,3-diazinan-2-one
OPENEYE Name: 1-hydroxy-3-methyl-hexahydropyrimidin-2-one
IUPAC Name: 1-hydroxy-3-methyl-1,3-diazinan-2-one
SYSTEMATIC NAME: 1-methyl-3-oxidanyl-1,3-diazinan-2-one
MOLECULAR FORMULA: C5H10N2O2
MOLECULAR WEIGHT: 130.1451
SMILES: CN1CCCN(C1=O)O
Structure:

CAS RN: 34281-13-5
CAS Name: acetic acid (2-methyl-3,4-diazaspiro[4.5]dec-3-en-2-yl) ester
OPENEYE Name: (2-methyl-3,4-diazaspiro[4.5]dec-3-en-2-yl) acetate
IUPAC Name: (2-methyl-3,4-diazaspiro[4.5]dec-3-en-2-yl) acetate
SYSTEMATIC NAME: (2-methyl-3,4-diazaspiro[4.5]dec-3-en-2-yl) ethanoate
MOLECULAR FORMULA: C11H18N2O2
MOLECULAR WEIGHT: 210.27282
SMILES: CC(=O)OC1(CC2(CCCCC2)N=N1)C
Structure:

CAS RN: 20007-57-2
CAS Name: 2-methyl-3,4-diazaspiro[4.5]dec-2-ene
OPENEYE Name: 2-methyl-3,4-diazaspiro[4.5]dec-2-ene
IUPAC Name: 2-methyl-3,4-diazaspiro[4.5]dec-2-ene
SYSTEMATIC NAME: 2-methyl-3,4-diazaspiro[4.5]dec-2-ene
MOLECULAR FORMULA: C9H16N2
MOLECULAR WEIGHT: 152.23674
SMILES: CC1=NNC2(C1)CCCCC2
Structure:

CAS RN: 22122-96-9
CAS Name: spiro[2,3a,4,5,6,7-hexahydroindazole-3,1'-cyclohexane]
OPENEYE Name: spiro[2,3a,4,5,6,7-hexahydroindazole-3,1'-cyclohexane]
IUPAC Name: spiro[2,3a,4,5,6,7-hexahydroindazole-3,1'-cyclohexane]
SYSTEMATIC NAME: spiro[2,3a,4,5,6,7-hexahydroindazole-3,1'-cyclohexane]
MOLECULAR FORMULA: C12H20N2
MOLECULAR WEIGHT: 192.3006
SMILES: C1CCC2(CC1)C3CCCCC3=NN2
Structure:

CAS RN: 73972-25-5
CAS Name: 2-acetamido-3-(acetylthio)-2-propenoic acid methyl ester
OPENEYE Name: methyl 2-acetamido-3-acetylsulfanyl-prop-2-enoate
IUPAC Name: methyl 2-acetamido-3-acetylsulfanylprop-2-enoate
SYSTEMATIC NAME: methyl 2-acetamido-3-ethanoylsulfanyl-prop-2-enoate
MOLECULAR FORMULA: C8H11NO4S
MOLECULAR WEIGHT: 217.24224
SMILES: CC(=O)NC(=CSC(=O)C)C(=O)OC
Structure:

CAS RN: 60084-47-1
CAS Name: 2-acetamido-3-chloro-2-propenoic acid methyl ester
OPENEYE Name: methyl 2-acetamido-3-chloro-prop-2-enoate
IUPAC Name: methyl 2-acetamido-3-chloroprop-2-enoate
SYSTEMATIC NAME: methyl 2-acetamido-3-chloranyl-prop-2-enoate
MOLECULAR FORMULA: C6H8ClNO3
MOLECULAR WEIGHT: 177.58562
SMILES: CC(=O)NC(=CCl)C(=O)OC
Structure:

CAS RN: 58178-01-1
CAS Name: 2-acetamido-2-(acetylthio)-3-chloropropanoic acid methyl ester
OPENEYE Name: methyl 2-acetamido-2-acetylsulfanyl-3-chloro-propanoate
IUPAC Name: methyl 2-acetamido-2-acetylsulfanyl-3-chloropropanoate
SYSTEMATIC NAME: methyl 2-acetamido-3-chloranyl-2-ethanoylsulfanyl-propanoate
MOLECULAR FORMULA: C8H12ClNO4S
MOLECULAR WEIGHT: 253.70318
SMILES: CC(=O)NC(CCl)(C(=O)OC)SC(=O)C
Structure:

CAS RN: 56411-59-7
CAS Name: N-(12-methyl-2,5,11,14-tetraoxo-3-propan-2-yl-1-oxa-4,10,13-triazacyclohexadec-15-yl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(3-isopropyl-12-methyl-2,5,11,14-tetraoxo-1-oxa-4,10,13-triazacyclohexadec-15-yl)carbamate
IUPAC Name: benzyl N-(12-methyl-2,5,11,14-tetraoxo-3-propan-2-yl-1-oxa-4,10,13-triazacyclohexadec-15-yl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[12-methyl-2,5,11,14-tetrakis(oxidanylidene)-3-propan-2-yl-1-oxa-4,10,13-triazacyclohexadec-15-yl]carbamate
MOLECULAR FORMULA: C24H34N4O7
MOLECULAR WEIGHT: 490.54936
SMILES: CC1C(=O)NCCCCC(=O)NC(C(=O)OCC(C(=O)N1)NC(=O)OCC2=CC=CC=C2)C(C)C
Structure:

CAS RN: 66974-94-5
CAS Name: 4-(dimethylaminoazo)benzene-1,3-dicarboxamide
OPENEYE Name: 4-(dimethylaminoazo)benzene-1,3-dicarboxamide
IUPAC Name: 4-(dimethylaminodiazenyl)benzene-1,3-dicarboxamide
SYSTEMATIC NAME: 4-(dimethylaminodiazenyl)benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C10H13N5O2
MOLECULAR WEIGHT: 235.24252
SMILES: CN(C)N=NC1=C(C=C(C=C1)C(=O)N)C(=O)N
Structure:

CAS RN: 976-71-6
CAS Name: 10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
OPENEYE Name: 10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-tetrahydrofuran]-2',3-dione
IUPAC Name: 10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
SYSTEMATIC NAME: 10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
MOLECULAR FORMULA: C22H28O3
MOLECULAR WEIGHT: 340.45592
SMILES: CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C
Structure:

CAS RN: 16915-78-9
CAS Name: 17-ethyl-13-methyl-2,3,4,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
OPENEYE Name: 17-ethyl-13-methyl-2,3,4,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
IUPAC Name: 17-ethyl-13-methyl-2,3,4,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: 17-ethyl-13-methyl-2,3,4,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C20H32O
MOLECULAR WEIGHT: 288.46748
SMILES: CCC1(CCC2C1(CCC3C2CC=C4C3CCCC4)C)O
Structure:

CAS RN: 13657-16-4
CAS Name: 3-(phenylmethyl)oxazolidine
OPENEYE Name: 3-benzyloxazolidine
IUPAC Name: 3-benzyl-1,3-oxazolidine
SYSTEMATIC NAME: 3-(phenylmethyl)-1,3-oxazolidine
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: C1COCN1CC2=CC=CC=C2
Structure:

CAS RN: 57609-69-5
CAS Name: 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide
OPENEYE Name: N-[4-(isopropylamino)phenyl]-2-methyl-prop-2-enamide
IUPAC Name: 2-methyl-N-[4-(propan-2-ylamino)phenyl]prop-2-enamide
SYSTEMATIC NAME: 2-methyl-N-[4-(propan-2-ylamino)phenyl]prop-2-enamide
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CC(C)NC1=CC=C(C=C1)NC(=O)C(=C)C
Structure:

CAS RN: 13067-94-2
CAS Name: 2-chloro-5-nitroquinoline
OPENEYE Name: 2-chloro-5-nitro-quinoline
IUPAC Name: 2-chloro-5-nitroquinoline
SYSTEMATIC NAME: 2-chloranyl-5-nitro-quinoline
MOLECULAR FORMULA: C9H5ClN2O2
MOLECULAR WEIGHT: 208.6012
SMILES: C1=CC2=C(C=CC(=N2)Cl)C(=C1)[N+](=O)[O-]
Structure:

CAS RN: 253-38-3
CAS Name: 1H-2-benzothiopyran
OPENEYE Name: 1H-isothiochromene
IUPAC Name: 1H-isothiochromene
SYSTEMATIC NAME: 1H-isothiochromene
MOLECULAR FORMULA: C9H8S
MOLECULAR WEIGHT: 148.22482
SMILES: C1C2=CC=CC=C2C=CS1
Structure:

CAS RN: 82040-71-9
CAS Name: 2-bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol
OPENEYE Name: 2-bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol
IUPAC Name: 2-bromo-6-methoxy-4-(2-nitroprop-1-enyl)phenol
SYSTEMATIC NAME: 2-bromanyl-6-methoxy-4-(2-nitroprop-1-enyl)phenol
MOLECULAR FORMULA: C10H10BrNO4
MOLECULAR WEIGHT: 288.0947
SMILES: CC(=CC1=CC(=C(C(=C1)Br)O)OC)[N+](=O)[O-]
Structure:

CAS RN: 82040-81-1
CAS Name: 2,6-dibromo-4-(2-nitroprop-1-enyl)phenol
OPENEYE Name: 2,6-dibromo-4-(2-nitroprop-1-enyl)phenol
IUPAC Name: 2,6-dibromo-4-(2-nitroprop-1-enyl)phenol
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-(2-nitroprop-1-enyl)phenol
MOLECULAR FORMULA: C9H7Br2NO3
MOLECULAR WEIGHT: 336.96478
SMILES: CC(=CC1=CC(=C(C(=C1)Br)O)Br)[N+](=O)[O-]
Structure:

CAS RN: 38336-42-4
CAS Name: 2-[3-(1,3-dithian-2-ylthio)propylthio]-1,3-dithiane
OPENEYE Name: 2-[3-(1,3-dithian-2-ylsulfanyl)propylsulfanyl]-1,3-dithiane
IUPAC Name: 2-[3-(1,3-dithian-2-ylsulfanyl)propylsulfanyl]-1,3-dithiane
SYSTEMATIC NAME: 2-[3-(1,3-dithian-2-ylsulfanyl)propylsulfanyl]-1,3-dithiane
MOLECULAR FORMULA: C11H20S6
MOLECULAR WEIGHT: 344.6665
SMILES: C1CSC(SC1)SCCCSC2SCCCS2
Structure:

CAS RN: 17590-61-3
CAS Name: 2-cinnamylidene-1,3-dithiane
OPENEYE Name: 2-cinnamylidene-1,3-dithiane
IUPAC Name: 2-cinnamylidene-1,3-dithiane
SYSTEMATIC NAME: 2-cinnamylidene-1,3-dithiane
MOLECULAR FORMULA: C13H14S2
MOLECULAR WEIGHT: 234.38026
SMILES: C1CSC(=CC=CC2=CC=CC=C2)SC1
Structure:

CAS RN: 64923-45-1
CAS Name: 5,5-dimethyl-1,3-dithiane-2-thione
OPENEYE Name: 5,5-dimethyl-1,3-dithiane-2-thione
IUPAC Name: 5,5-dimethyl-1,3-dithiane-2-thione
SYSTEMATIC NAME: 5,5-dimethyl-1,3-dithiane-2-thione
MOLECULAR FORMULA: C6H10S3
MOLECULAR WEIGHT: 178.3386
SMILES: CC1(CSC(=S)SC1)C
Structure:

CAS RN: 53811-23-7
CAS Name: 2-(phenylthio)-1,3-dithiane
OPENEYE Name: 2-phenylsulfanyl-1,3-dithiane
IUPAC Name: 2-phenylsulfanyl-1,3-dithiane
SYSTEMATIC NAME: 2-phenylsulfanyl-1,3-dithiane
MOLECULAR FORMULA: C10H12S3
MOLECULAR WEIGHT: 228.39728
SMILES: C1CSC(SC1)SC2=CC=CC=C2
Structure:

CAS RN: 57009-75-3
CAS Name: 2-(4-fluorophenyl)-1,3-dithiane
OPENEYE Name: 2-(4-fluorophenyl)-1,3-dithiane
IUPAC Name: 2-(4-fluorophenyl)-1,3-dithiane
SYSTEMATIC NAME: 2-(4-fluorophenyl)-1,3-dithiane
MOLECULAR FORMULA: C10H11FS2
MOLECULAR WEIGHT: 214.322743
SMILES: C1CSC(SC1)C2=CC=C(C=C2)F
Structure:

CAS RN: 80593-70-0
CAS Name: 2-ethynyl-1,3-dithiane
OPENEYE Name: 2-ethynyl-1,3-dithiane
IUPAC Name: 2-ethynyl-1,3-dithiane
SYSTEMATIC NAME: 2-ethynyl-1,3-dithiane
MOLECULAR FORMULA: C6H8S2
MOLECULAR WEIGHT: 144.25772
SMILES: C#CC1SCCCS1
Structure:

CAS RN: 51102-76-2
CAS Name: N,N-dimethyl-1,3-dithiane-2-carboxamide
OPENEYE Name: N,N-dimethyl-1,3-dithiane-2-carboxamide
IUPAC Name: N,N-dimethyl-1,3-dithiane-2-carboxamide
SYSTEMATIC NAME: N,N-dimethyl-1,3-dithiane-2-carboxamide
MOLECULAR FORMULA: C7H13NOS2
MOLECULAR WEIGHT: 191.31422
SMILES: CN(C)C(=O)C1SCCCS1
Structure:

CAS RN: 70063-59-1
CAS Name: 2-(dichloromethyl)-1,3-dithiane
OPENEYE Name: 2-(dichloromethyl)-1,3-dithiane
IUPAC Name: 2-(dichloromethyl)-1,3-dithiane
SYSTEMATIC NAME: 2-[bis(chloranyl)methyl]-1,3-dithiane
MOLECULAR FORMULA: C5H8Cl2S2
MOLECULAR WEIGHT: 203.15302
SMILES: C1CSC(SC1)C(Cl)Cl
Structure:

CAS RN: 61177-95-5
CAS Name: 2-hydroxy-1,2,4-triazin-3-imine
OPENEYE Name: 2-hydroxy-1,2,4-triazin-3-imine
IUPAC Name: 2-hydroxy-1,2,4-triazin-3-imine
SYSTEMATIC NAME: 2-oxidanyl-1,2,4-triazin-3-imine
MOLECULAR FORMULA: C3H4N4O
MOLECULAR WEIGHT: 112.09006
SMILES: C1=NC(=N)N(N=C1)O
Structure:

CAS RN: 64393-09-5
CAS Name: 1-cyclopropyl-3-(3,4-dichlorophenyl)urea
OPENEYE Name: 1-cyclopropyl-3-(3,4-dichlorophenyl)urea
IUPAC Name: 1-cyclopropyl-3-(3,4-dichlorophenyl)urea
SYSTEMATIC NAME: 1-cyclopropyl-3-(3,4-dichlorophenyl)urea
MOLECULAR FORMULA: C10H10Cl2N2O
MOLECULAR WEIGHT: 245.1052
SMILES: C1CC1NC(=O)NC2=CC(=C(C=C2)Cl)Cl
Structure:

CAS RN: 55717-07-2
CAS Name: 4-eicosylmorpholine
OPENEYE Name: 4-icosylmorpholine
IUPAC Name: 4-icosylmorpholine
SYSTEMATIC NAME: 4-icosylmorpholine
MOLECULAR FORMULA: C24H49NO
MOLECULAR WEIGHT: 367.65196
SMILES: CCCCCCCCCCCCCCCCCCCCN1CCOCC1
Structure:

CAS RN: 13178-38-6
CAS Name: 4-octadecyl-4-oxidomorpholin-4-ium
OPENEYE Name: 4-octadecyl-4-oxido-morpholin-4-ium
IUPAC Name: 4-octadecyl-4-oxidomorpholin-4-ium
SYSTEMATIC NAME: 4-octadecyl-4-oxidanidyl-morpholin-4-ium
MOLECULAR FORMULA: C22H45NO2
MOLECULAR WEIGHT: 355.5982
SMILES: CCCCCCCCCCCCCCCCCC[N+]1(CCOCC1)[O-]
Structure:

CAS RN: 60195-67-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C53H78O11
MOLECULAR WEIGHT: 891.17982
SMILES: CCCCCCCCCCCCCCCC(=O)OCC12C(O1)C3C4C5(C(C(C3(C6C=C(C(=O)C6(C2O)O)C)OC(O4)(O5)CCCCCCCCC)C)OC(=O)C7=CC=CC=C7)C(=C)C
Structure:

CAS RN: 70960-78-0
CAS Name: 2,5-bis(heptylamino)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(heptylamino)-3-methoxy-6-methyl-1,4-benzoquinone
IUPAC Name: 2,5-bis(heptylamino)-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(heptylamino)-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C22H38N2O3
MOLECULAR WEIGHT: 378.54872
SMILES: CCCCCCCNC1=C(C(=O)C(=C(C1=O)OC)NCCCCCCC)C
Structure:

CAS RN: 70960-81-5
CAS Name: 2-methoxy-5-methyl-3,6-bis(tetradecylamino)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-methoxy-5-methyl-3,6-bis(tetradecylamino)-1,4-benzoquinone
IUPAC Name: 2-methoxy-5-methyl-3,6-bis(tetradecylamino)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-methoxy-5-methyl-3,6-bis(tetradecylamino)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C36H66N2O3
MOLECULAR WEIGHT: 574.92084
SMILES: CCCCCCCCCCCCCCNC1=C(C(=O)C(=C(C1=O)OC)NCCCCCCCCCCCCCC)C
Structure:

CAS RN: 67965-12-2
CAS Name: acetic acid [2-acetyloxy-4,5-bis(phenylmethoxy)-6-[(triphenylmethyl)oxymethyl]-3-oxanyl] ester
OPENEYE Name: [2-acetoxy-4,5-dibenzyloxy-6-(trityloxymethyl)tetrahydropyran-3-yl] acetate
IUPAC Name: [2-acetyloxy-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-3-yl] acetate
SYSTEMATIC NAME: [2-acetyloxy-4,5-bis(phenylmethoxy)-6-[(triphenylmethyl)oxymethyl]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C43H42O8
MOLECULAR WEIGHT: 686.78878
SMILES: CC(=O)OC1C(C(C(OC1OC(=O)C)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
Structure:

CAS RN: 55154-57-9
CAS Name: 2,6-bis(2-methylpentan-2-yl)-4-propan-2-ylphenol
OPENEYE Name: 2,6-bis(1,1-dimethylbutyl)-4-isopropyl-phenol
IUPAC Name: 2,6-bis(2-methylpentan-2-yl)-4-propan-2-ylphenol
SYSTEMATIC NAME: 2,6-bis(2-methylpentan-2-yl)-4-propan-2-yl-phenol
MOLECULAR FORMULA: C21H36O
MOLECULAR WEIGHT: 304.50994
SMILES: CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCC)C(C)C
Structure:

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