Tuesday, June 26, 2012

http://ChemLookup.com Compounds




CAS RN: 74047-08-8
CAS Name: 1-chloro-4-(methylsulfonylmethylsulfonyl)benzene
OPENEYE Name: 1-chloro-4-(methylsulfonylmethylsulfonyl)benzene
IUPAC Name: 1-chloro-4-(methylsulfonylmethylsulfonyl)benzene
SYSTEMATIC NAME: 1-chloranyl-4-(methylsulfonylmethylsulfonyl)benzene
MOLECULAR FORMULA: C8H9ClO4S2
MOLECULAR WEIGHT: 268.73766
SMILES: CS(=O)(=O)CS(=O)(=O)C1=CC=C(C=C1)Cl
Structure:

CAS RN: 31350-09-1
CAS Name: N-(thiophen-2-ylmethylideneamino)-1,3-benzothiazol-2-amine
OPENEYE Name: N-(2-thienylmethyleneamino)-1,3-benzothiazol-2-amine
IUPAC Name: N-(thiophen-2-ylmethylideneamino)-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: N-(thiophen-2-ylmethylideneamino)-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C12H9N3S2
MOLECULAR WEIGHT: 259.34996
SMILES: C1=CC=C2C(=C1)N=C(S2)NN=CC3=CC=CS3
Structure:

CAS RN: 65367-72-8
CAS Name: (6-bromo-1,3-benzodioxol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
OPENEYE Name: (6-bromo-1,3-benzodioxol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SYSTEMATIC NAME: (6-bromanyl-1,3-benzodioxol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
MOLECULAR FORMULA: C17H14BrNO3
MOLECULAR WEIGHT: 360.20196
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)C3=CC4=C(C=C3Br)OCO4
Structure:

CAS RN: 40141-98-8
CAS Name: 5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-6-one
OPENEYE Name: 5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-6-one
IUPAC Name: 5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-6-one
SYSTEMATIC NAME: 5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-6-one
MOLECULAR FORMULA: C15H11NO3
MOLECULAR WEIGHT: 253.25274
SMILES: CN1C2=CC=CC=C2C3=CC4=C(C=C3C1=O)OCO4
Structure:

CAS RN: 65367-80-8
CAS Name: 2-bromo-4,5-dimethoxy-N-methyl-N-phenylbenzamide
OPENEYE Name: 2-bromo-4,5-dimethoxy-N-methyl-N-phenyl-benzamide
IUPAC Name: 2-bromo-4,5-dimethoxy-N-methyl-N-phenylbenzamide
SYSTEMATIC NAME: 2-bromanyl-4,5-dimethoxy-N-methyl-N-phenyl-benzamide
MOLECULAR FORMULA: C16H16BrNO3
MOLECULAR WEIGHT: 350.20714
SMILES: CN(C1=CC=CC=C1)C(=O)C2=CC(=C(C=C2Br)OC)OC
Structure:

CAS RN: 40141-79-5
CAS Name: 6-bromo-N-methyl-N-phenyl-1,3-benzodioxole-5-carboxamide
OPENEYE Name: 6-bromo-N-methyl-N-phenyl-1,3-benzodioxole-5-carboxamide
IUPAC Name: 6-bromo-N-methyl-N-phenyl-1,3-benzodioxole-5-carboxamide
SYSTEMATIC NAME: 6-bromanyl-N-methyl-N-phenyl-1,3-benzodioxole-5-carboxamide
MOLECULAR FORMULA: C15H12BrNO3
MOLECULAR WEIGHT: 334.16468
SMILES: CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2Br)OCO3
Structure:

CAS RN: 65210-66-4
CAS Name: (7,8-dimethoxy-2-naphthalenyl)methanol
OPENEYE Name: (7,8-dimethoxy-2-naphthyl)methanol
IUPAC Name: (7,8-dimethoxynaphthalen-2-yl)methanol
SYSTEMATIC NAME: (7,8-dimethoxynaphthalen-2-yl)methanol
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: COC1=C(C2=C(C=CC(=C2)CO)C=C1)OC
Structure:

CAS RN: 1115-24-8
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-3-methylpentanoic acid
OPENEYE Name: 2-[(2-chloroacetyl)amino]-3-methyl-pentanoic acid
IUPAC Name: 2-[(2-chloroacetyl)amino]-3-methylpentanoic acid
SYSTEMATIC NAME: 2-(2-chloranylethanoylamino)-3-methyl-pentanoic acid
MOLECULAR FORMULA: C8H14ClNO3
MOLECULAR WEIGHT: 207.65466
SMILES: CCC(C)C(C(=O)O)NC(=O)CCl
Structure:

CAS RN: 30416-81-0
CAS Name: 1-[bromo(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)methyl]sulfonyl-1,1,2,2,3,3,4,4,4-nonafluorobutane
OPENEYE Name: 1-[bromo(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)methyl]sulfonyl-1,1,2,2,3,3,4,4,4-nonafluoro-butane
IUPAC Name: 1-[bromo(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)methyl]sulfonyl-1,1,2,2,3,3,4,4,4-nonafluorobutane
SYSTEMATIC NAME: 1-[bromanyl-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonyl]methyl]sulfonyl-1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane
MOLECULAR FORMULA: C9HBrF18O4S2
MOLECULAR WEIGHT: 659.107098
SMILES: C(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Br
Structure:

CAS RN: 52843-77-3
CAS Name: 2-(trifluoromethylsulfonyl)ethynylbenzene
OPENEYE Name: 2-(trifluoromethylsulfonyl)ethynylbenzene
IUPAC Name: 2-(trifluoromethylsulfonyl)ethynylbenzene
SYSTEMATIC NAME: 2-(trifluoromethylsulfonyl)ethynylbenzene
MOLECULAR FORMULA: C9H5F3O2S
MOLECULAR WEIGHT: 234.19501
SMILES: C1=CC=C(C=C1)C#CS(=O)(=O)C(F)(F)F
Structure:

CAS RN: 63369-94-8
CAS Name: 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)ethynylbenzene
OPENEYE Name: 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)ethynylbenzene
IUPAC Name: 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)ethynylbenzene
SYSTEMATIC NAME: 2-[1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butylsulfonyl]ethynylbenzene
MOLECULAR FORMULA: C12H5F9O2S
MOLECULAR WEIGHT: 384.217529
SMILES: C1=CC=C(C=C1)C#CS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Structure:

CAS RN: 24056-59-5
CAS Name: 3,3-diphenyl-2-piperidinone
OPENEYE Name: 3,3-diphenylpiperidin-2-one
IUPAC Name: 3,3-diphenylpiperidin-2-one
SYSTEMATIC NAME: 3,3-diphenylpiperidin-2-one
MOLECULAR FORMULA: C17H17NO
MOLECULAR WEIGHT: 251.32298
SMILES: C1CC(C(=O)NC1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 5217-80-1
CAS Name: 3,3-diphenyl-2-piperidinone
OPENEYE Name: 3,3-diphenylpiperidin-2-one
IUPAC Name: 3,3-diphenylpiperidin-2-one
SYSTEMATIC NAME: 3,3-diphenylpiperidin-2-one
MOLECULAR FORMULA: C17H17NO
MOLECULAR WEIGHT: 251.32298
SMILES: C1CC(C(=O)NC1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 67206-13-7
CAS Name: 3-(1-oxopropylamino)-3-thiophen-2-ylpropanoic acid
OPENEYE Name: 3-(propanoylamino)-3-(2-thienyl)propanoic acid
IUPAC Name: 3-(propanoylamino)-3-thiophen-2-ylpropanoic acid
SYSTEMATIC NAME: 3-(propanoylamino)-3-thiophen-2-yl-propanoic acid
MOLECULAR FORMULA: C10H13NO3S
MOLECULAR WEIGHT: 227.28012
SMILES: CCC(=O)NC(CC(=O)O)C1=CC=CS1
Structure:

CAS RN: 67206-11-5
CAS Name: 2-(1-oxopropylamino)hexanoic acid
OPENEYE Name: 2-(propanoylamino)hexanoic acid
IUPAC Name: 2-(propanoylamino)hexanoic acid
SYSTEMATIC NAME: 2-(propanoylamino)hexanoic acid
MOLECULAR FORMULA: C9H17NO3
MOLECULAR WEIGHT: 187.23618
SMILES: CCCCC(C(=O)O)NC(=O)CC
Structure:

CAS RN: 55443-74-8
CAS Name: 4-methyl-2-(1-oxopropylamino)pentanoic acid
OPENEYE Name: 4-methyl-2-(propanoylamino)pentanoic acid
IUPAC Name: 4-methyl-2-(propanoylamino)pentanoic acid
SYSTEMATIC NAME: 4-methyl-2-(propanoylamino)pentanoic acid
MOLECULAR FORMULA: C9H17NO3
MOLECULAR WEIGHT: 187.23618
SMILES: CCC(=O)NC(CC(C)C)C(=O)O
Structure:

CAS RN: 39895-48-2
CAS Name: 3-(4-fluorophenyl)-2-(1-oxopropylamino)propanoic acid
OPENEYE Name: 3-(4-fluorophenyl)-2-(propanoylamino)propanoic acid
IUPAC Name: 3-(4-fluorophenyl)-2-(propanoylamino)propanoic acid
SYSTEMATIC NAME: 3-(4-fluorophenyl)-2-(propanoylamino)propanoic acid
MOLECULAR FORMULA: C12H14FNO3
MOLECULAR WEIGHT: 239.242863
SMILES: CCC(=O)NC(CC1=CC=C(C=C1)F)C(=O)O
Structure:

CAS RN: 67206-10-4
CAS Name: 3-(3-fluorophenyl)-2-(1-oxopropylamino)propanoic acid
OPENEYE Name: 3-(3-fluorophenyl)-2-(propanoylamino)propanoic acid
IUPAC Name: 3-(3-fluorophenyl)-2-(propanoylamino)propanoic acid
SYSTEMATIC NAME: 3-(3-fluorophenyl)-2-(propanoylamino)propanoic acid
MOLECULAR FORMULA: C12H14FNO3
MOLECULAR WEIGHT: 239.242863
SMILES: CCC(=O)NC(CC1=CC(=CC=C1)F)C(=O)O
Structure:

CAS RN: 67324-94-1
CAS Name: 3-(2-fluorophenyl)-2-(1-oxopropylamino)propanoic acid
OPENEYE Name: 3-(2-fluorophenyl)-2-(propanoylamino)propanoic acid
IUPAC Name: 3-(2-fluorophenyl)-2-(propanoylamino)propanoic acid
SYSTEMATIC NAME: 3-(2-fluorophenyl)-2-(propanoylamino)propanoic acid
MOLECULAR FORMULA: C12H14FNO3
MOLECULAR WEIGHT: 239.242863
SMILES: CCC(=O)NC(CC1=CC=CC=C1F)C(=O)O
Structure:

CAS RN: 67206-09-1
CAS Name: 2-(1-oxopropylamino)-4-pentenoic acid
OPENEYE Name: 2-(propanoylamino)pent-4-enoic acid
IUPAC Name: 2-(propanoylamino)pent-4-enoic acid
SYSTEMATIC NAME: 2-(propanoylamino)pent-4-enoic acid
MOLECULAR FORMULA: C8H13NO3
MOLECULAR WEIGHT: 171.19372
SMILES: CCC(=O)NC(CC=C)C(=O)O
Structure:

CAS RN: 56440-46-1
CAS Name: 2-(1-oxopropylamino)propanoic acid
OPENEYE Name: 2-(propanoylamino)propanoic acid
IUPAC Name: 2-(propanoylamino)propanoic acid
SYSTEMATIC NAME: 2-(propanoylamino)propanoic acid
MOLECULAR FORMULA: C6H11NO3
MOLECULAR WEIGHT: 145.15644
SMILES: CCC(=O)NC(C)C(=O)O
Structure:

CAS RN: 67206-29-5
CAS Name: 3-[(2-chloro-1-oxoethyl)amino]-3-thiophen-2-ylpropanoic acid
OPENEYE Name: 3-[(2-chloroacetyl)amino]-3-(2-thienyl)propanoic acid
IUPAC Name: 3-[(2-chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid
SYSTEMATIC NAME: 3-(2-chloranylethanoylamino)-3-thiophen-2-yl-propanoic acid
MOLECULAR FORMULA: C9H10ClNO3S
MOLECULAR WEIGHT: 247.6986
SMILES: C1=CSC(=C1)C(CC(=O)O)NC(=O)CCl
Structure:

CAS RN: 67253-31-0
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-3-thiophen-2-ylpropanoic acid
OPENEYE Name: 2-[(2-chloroacetyl)amino]-3-(2-thienyl)propanoic acid
IUPAC Name: 2-[(2-chloroacetyl)amino]-3-thiophen-2-ylpropanoic acid
SYSTEMATIC NAME: 2-(2-chloranylethanoylamino)-3-thiophen-2-yl-propanoic acid
MOLECULAR FORMULA: C9H10ClNO3S
MOLECULAR WEIGHT: 247.6986
SMILES: C1=CSC(=C1)CC(C(=O)O)NC(=O)CCl
Structure:

CAS RN: 67206-19-3
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-3-(4-fluorophenyl)propanoic acid
OPENEYE Name: 2-[(2-chloroacetyl)amino]-3-(4-fluorophenyl)propanoic acid
IUPAC Name: 2-[(2-chloroacetyl)amino]-3-(4-fluorophenyl)propanoic acid
SYSTEMATIC NAME: 2-(2-chloranylethanoylamino)-3-(4-fluorophenyl)propanoic acid
MOLECULAR FORMULA: C11H11ClFNO3
MOLECULAR WEIGHT: 259.661343
SMILES: C1=CC(=CC=C1CC(C(=O)O)NC(=O)CCl)F
Structure:

CAS RN: 67206-17-1
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-3-(2-fluorophenyl)propanoic acid
OPENEYE Name: 2-[(2-chloroacetyl)amino]-3-(2-fluorophenyl)propanoic acid
IUPAC Name: 2-[(2-chloroacetyl)amino]-3-(2-fluorophenyl)propanoic acid
SYSTEMATIC NAME: 2-(2-chloranylethanoylamino)-3-(2-fluorophenyl)propanoic acid
MOLECULAR FORMULA: C11H11ClFNO3
MOLECULAR WEIGHT: 259.661343
SMILES: C1=CC=C(C(=C1)CC(C(=O)O)NC(=O)CCl)F
Structure:

CAS RN: 67206-16-0
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-4-pentenoic acid
OPENEYE Name: 2-[(2-chloroacetyl)amino]pent-4-enoic acid
IUPAC Name: 2-[(2-chloroacetyl)amino]pent-4-enoic acid
SYSTEMATIC NAME: 2-(2-chloranylethanoylamino)pent-4-enoic acid
MOLECULAR FORMULA: C7H10ClNO3
MOLECULAR WEIGHT: 191.6122
SMILES: C=CCC(C(=O)O)NC(=O)CCl
Structure:

CAS RN: 67036-33-3
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]butanedioic acid
OPENEYE Name: 2-[(2-chloroacetyl)amino]butanedioic acid
IUPAC Name: 2-[(2-chloroacetyl)amino]butanedioic acid
SYSTEMATIC NAME: 2-(2-chloranylethanoylamino)butanedioic acid
MOLECULAR FORMULA: C6H8ClNO5
MOLECULAR WEIGHT: 209.58442
SMILES: C(C(C(=O)O)NC(=O)CCl)C(=O)O
Structure:

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