Friday, July 20, 2012

http://ChemLookup.com Compounds




CAS RN: 87259-00-5
CAS Name: 2,2-diphenyl-1-acenaphthylenone
OPENEYE Name: 2,2-diphenylacenaphthylen-1-one
IUPAC Name: 2,2-diphenylacenaphthylen-1-one
SYSTEMATIC NAME: 2,2-diphenylacenaphthylen-1-one
MOLECULAR FORMULA: C24H16O
MOLECULAR WEIGHT: 320.38324
SMILES: C1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5
Structure:

CAS RN: 58053-50-2
CAS Name: 1,3-dimethyl-5-nitroindazole
OPENEYE Name: 1,3-dimethyl-5-nitro-indazole
IUPAC Name: 1,3-dimethyl-5-nitroindazole
SYSTEMATIC NAME: 1,3-dimethyl-5-nitro-indazole
MOLECULAR FORMULA: C9H9N3O2
MOLECULAR WEIGHT: 191.18666
SMILES: CC1=NN(C2=C1C=C(C=C2)[N+](=O)[O-])C
Structure:

CAS RN: 17064-80-1
CAS Name: N-(2-methylphenyl)-1-(2-nitrophenyl)methanimine
OPENEYE Name: 1-(2-nitrophenyl)-N-(o-tolyl)methanimine
IUPAC Name: N-(2-methylphenyl)-1-(2-nitrophenyl)methanimine
SYSTEMATIC NAME: N-(2-methylphenyl)-1-(2-nitrophenyl)methanimine
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: CC1=CC=CC=C1N=CC2=CC=CC=C2[N+](=O)[O-]
Structure:

CAS RN: 54187-56-3
CAS Name: N-[2-(diethylamino)ethyl]-4-methyl-2-nitro-3-phenylmethoxybenzamide
OPENEYE Name: 3-benzyloxy-N-[2-(diethylamino)ethyl]-4-methyl-2-nitro-benzamide
IUPAC Name: N-[2-(diethylamino)ethyl]-4-methyl-2-nitro-3-phenylmethoxybenzamide
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-4-methyl-2-nitro-3-phenylmethoxy-benzamide
MOLECULAR FORMULA: C21H27N3O4
MOLECULAR WEIGHT: 385.45678
SMILES: CCN(CC)CCNC(=O)C1=C(C(=C(C=C1)C)OCC2=CC=CC=C2)[N+](=O)[O-]
Structure:

CAS RN: 36855-58-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: CO[C@@H]1C[C@@H]2[C@]3(C=C1)C(CN2CC4=C(C5=C(C=C34)OCO5)OC)O
Structure:

CAS RN: 3660-62-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: CO[C@@H]1C[C@@H]2[C@]3(C=C1)C(CN2CC4=C(C5=C(C=C34)OCO5)OC)O
Structure:

CAS RN: 7536-55-2
CAS Name: 4-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-amino-2-(tert-butoxycarbonylamino)-4-oxo-butanoic acid
IUPAC Name: 4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C9H16N2O5
MOLECULAR WEIGHT: 232.23374
SMILES: CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)O
Structure:

CAS RN: 75647-01-7
CAS Name: 4-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-amino-2-(tert-butoxycarbonylamino)-4-oxo-butanoic acid
IUPAC Name: 4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C9H16N2O5
MOLECULAR WEIGHT: 232.23374
SMILES: CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)O
Structure:

CAS RN: 26566-10-9
CAS Name: N-cyclohexylcyclohexanamine; 5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
OPENEYE Name: 4-(benzyloxycarbonylamino)-5-methoxy-5-oxo-pentanoic acid; N-cyclohexylcyclohexanamine
IUPAC Name: N-cyclohexylcyclohexanamine; 5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
SYSTEMATIC NAME: N-cyclohexylcyclohexanamine; 5-methoxy-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid
MOLECULAR FORMULA: C26H40N2O6
MOLECULAR WEIGHT: 476.6056
SMILES: COC(=O)C(CCC(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
Structure:

CAS RN: 57135-10-1
CAS Name: N-cyclohexylcyclohexanamine; 5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
OPENEYE Name: 4-(benzyloxycarbonylamino)-5-methoxy-5-oxo-pentanoic acid; N-cyclohexylcyclohexanamine
IUPAC Name: N-cyclohexylcyclohexanamine; 5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
SYSTEMATIC NAME: N-cyclohexylcyclohexanamine; 5-methoxy-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid
MOLECULAR FORMULA: C26H40N2O6
MOLECULAR WEIGHT: 476.6056
SMILES: COC(=O)C(CCC(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
Structure:

CAS RN: 7292-71-9
CAS Name: 2-amino-2-(3-chlorophenyl)acetic acid
OPENEYE Name: 2-amino-2-(3-chlorophenyl)acetic acid
IUPAC Name: 2-amino-2-(3-chlorophenyl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(3-chlorophenyl)ethanoic acid
MOLECULAR FORMULA: C8H8ClNO2
MOLECULAR WEIGHT: 185.60762
SMILES: C1=CC(=CC(=C1)Cl)C(C(=O)O)N
Structure:

CAS RN: 29884-14-8
CAS Name: 2-amino-2-(3-chlorophenyl)acetic acid
OPENEYE Name: 2-amino-2-(3-chlorophenyl)acetic acid
IUPAC Name: 2-amino-2-(3-chlorophenyl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(3-chlorophenyl)ethanoic acid
MOLECULAR FORMULA: C8H8ClNO2
MOLECULAR WEIGHT: 185.60762
SMILES: C1=CC(=CC(=C1)Cl)C(C(=O)O)N
Structure:

CAS RN: 88744-36-9
CAS Name: 2-amino-2-(2-chlorophenyl)acetic acid
OPENEYE Name: 2-amino-2-(2-chlorophenyl)acetic acid
IUPAC Name: 2-amino-2-(2-chlorophenyl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(2-chlorophenyl)ethanoic acid
MOLECULAR FORMULA: C8H8ClNO2
MOLECULAR WEIGHT: 185.60762
SMILES: C1=CC=C(C(=C1)C(C(=O)O)N)Cl
Structure:

CAS RN: 41230-53-9
CAS Name: 3-methylisoxazolo[4,5-b]pyrazine
OPENEYE Name: 3-methylisoxazolo[4,5-b]pyrazine
IUPAC Name: 3-methyl-[1,2]oxazolo[4,5-b]pyrazine
SYSTEMATIC NAME: 3-methyl-[1,2]oxazolo[4,5-b]pyrazine
MOLECULAR FORMULA: C6H5N3O
MOLECULAR WEIGHT: 135.1234
SMILES: CC1=NOC2=NC=CN=C12
Structure:

CAS RN: 24195-02-6
CAS Name: 3-methoxycarbonyl-2-pyridinecarboxylic acid
OPENEYE Name: 3-methoxycarbonylpyridine-2-carboxylic acid
IUPAC Name: 3-methoxycarbonylpyridine-2-carboxylic acid
SYSTEMATIC NAME: 3-methoxycarbonylpyridine-2-carboxylic acid
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: COC(=O)C1=C(N=CC=C1)C(=O)O
Structure:

CAS RN: 60355-67-1
CAS Name: 2-(hydroxymethyl)-5-[4-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H14N4O4S
MOLECULAR WEIGHT: 298.31826
SMILES: CSC1=NC=NC2=C1C=NN2C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 5014-47-1
CAS Name: 1-(4-morpholinyl)-8-[3-[(3-pentyl-2-thiiranyl)methyl]-2-thiiranyl]-1-octanone
OPENEYE Name: 1-morpholino-8-[3-[(3-pentylthiiran-2-yl)methyl]thiiran-2-yl]octan-1-one
IUPAC Name: 1-morpholin-4-yl-8-[3-[(3-pentylthiiran-2-yl)methyl]thiiran-2-yl]octan-1-one
SYSTEMATIC NAME: 1-morpholin-4-yl-8-[3-[(3-pentylthiiran-2-yl)methyl]thiiran-2-yl]octan-1-one
MOLECULAR FORMULA: C22H39NO2S2
MOLECULAR WEIGHT: 413.68056
SMILES: CCCCCC1C(S1)CC2C(S2)CCCCCCCC(=O)N3CCOCC3
Structure:

CAS RN: 177406-49-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O6
MOLECULAR WEIGHT: 364.43272
SMILES: CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O
Structure:

CAS RN: 17673-25-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O6
MOLECULAR WEIGHT: 364.43272
SMILES: CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O
Structure:

CAS RN: 26241-63-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O6
MOLECULAR WEIGHT: 364.43272
SMILES: CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O
Structure:

CAS RN: 78695-17-7
CAS Name: N-(6-bromo-1H-benzimidazol-2-yl)carbamic acid methyl ester
OPENEYE Name: methyl N-(6-bromo-1H-benzimidazol-2-yl)carbamate
IUPAC Name: methyl N-(6-bromo-1H-benzimidazol-2-yl)carbamate
SYSTEMATIC NAME: methyl N-(6-bromanyl-1H-benzimidazol-2-yl)carbamate
MOLECULAR FORMULA: C9H8BrN3O2
MOLECULAR WEIGHT: 270.08272
SMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)Br
Structure:

CAS RN: 48146-91-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12Br2ClNO
MOLECULAR WEIGHT: 357.46938
SMILES: C1C2C3CC(C(C3C1C(C2Cl)N=O)Br)Br
Structure:

CAS RN: 78087-47-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H17NO2S
MOLECULAR WEIGHT: 275.36598
SMILES: C1C2C=CC1C3C2CN(C3)S(=O)(=O)C4=CC=CC=C4
Structure:

CAS RN: 7500-02-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H17NO2S
MOLECULAR WEIGHT: 275.36598
SMILES: C1C2C=CC1C3C2CN(C3)S(=O)(=O)C4=CC=CC=C4
Structure:

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