Tuesday, June 26, 2012

http://ChemLookup.com Compounds




CAS RN: 51642-81-0
CAS Name: acetic acid (3,4,5-triacetyloxy-6-amino-2-oxanyl)methyl ester
OPENEYE Name: (3,4,5-triacetoxy-6-amino-tetrahydropyran-2-yl)methyl acetate
IUPAC Name: (3,4,5-triacetyloxy-6-aminooxan-2-yl)methyl acetate
SYSTEMATIC NAME: (3,4,5-triacetyloxy-6-azanyl-oxan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C14H21NO9
MOLECULAR WEIGHT: 347.31784
SMILES: CC(=O)OCC1C(C(C(C(O1)N)OC(=O)C)OC(=O)C)OC(=O)C
Structure:

CAS RN: 59262-85-0
CAS Name: 3-[(5-amino-6-chloro-4-pyrimidinyl)amino]-2-nonanol
OPENEYE Name: 3-[(5-amino-6-chloro-pyrimidin-4-yl)amino]nonan-2-ol
IUPAC Name: 3-[(5-amino-6-chloropyrimidin-4-yl)amino]nonan-2-ol
SYSTEMATIC NAME: 3-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]nonan-2-ol
MOLECULAR FORMULA: C13H23ClN4O
MOLECULAR WEIGHT: 286.80092
SMILES: CCCCCCC(C(C)O)NC1=C(C(=NC=N1)Cl)N
Structure:

CAS RN: 51714-10-4
CAS Name: 3-amino-2-nonanol
OPENEYE Name: 3-aminononan-2-ol
IUPAC Name: 3-aminononan-2-ol
SYSTEMATIC NAME: 3-azanylnonan-2-ol
MOLECULAR FORMULA: C9H21NO
MOLECULAR WEIGHT: 159.26914
SMILES: CCCCCCC(C(C)O)N
Structure:

CAS RN: 75166-64-2
CAS Name: 3-amino-2-nonanol
OPENEYE Name: 3-aminononan-2-ol
IUPAC Name: 3-aminononan-2-ol
SYSTEMATIC NAME: 3-azanylnonan-2-ol
MOLECULAR FORMULA: C9H21NO
MOLECULAR WEIGHT: 159.26914
SMILES: CCCCCCC(C(C)O)N
Structure:

CAS RN: 51714-09-1
CAS Name: N-(2-oxononan-3-yl)acetamide
OPENEYE Name: N-(1-acetylheptyl)acetamide
IUPAC Name: N-(2-oxononan-3-yl)acetamide
SYSTEMATIC NAME: N-(2-oxidanylidenenonan-3-yl)ethanamide
MOLECULAR FORMULA: C11H21NO2
MOLECULAR WEIGHT: 199.28994
SMILES: CCCCCCC(C(=O)C)NC(=O)C
Structure:

CAS RN: 52801-27-1
CAS Name: 2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde
OPENEYE Name: 2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde
IUPAC Name: 2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde
SYSTEMATIC NAME: 2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde
MOLECULAR FORMULA: C21H23NO5
MOLECULAR WEIGHT: 369.41102
SMILES: CN1CCC2=CC3=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC)C=O)OCO3
Structure:

CAS RN: 62475-57-4
CAS Name: 2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde
OPENEYE Name: 2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde
IUPAC Name: 2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde
SYSTEMATIC NAME: 2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]benzaldehyde
MOLECULAR FORMULA: C21H23NO5
MOLECULAR WEIGHT: 369.41102
SMILES: CN1CCC2=CC3=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC)C=O)OCO3
Structure:

CAS RN: 67965-14-4
CAS Name: acetic acid [2-acetyloxy-6-[(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)-3-oxanyl] ester
OPENEYE Name: [2-acetoxy-4,5-dibenzyloxy-6-[(dimethylhydrazono)methyl]tetrahydropyran-3-yl] acetate
IUPAC Name: [2-acetyloxy-6-[(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
SYSTEMATIC NAME: [2-acetyloxy-6-[(dimethylhydrazinylidene)methyl]-4,5-bis(phenylmethoxy)oxan-3-yl] ethanoate
MOLECULAR FORMULA: C26H32N2O7
MOLECULAR WEIGHT: 484.54148
SMILES: CC(=O)OC1C(C(C(OC1OC(=O)C)C=NN(C)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3
Structure:

CAS RN: 69164-80-3
CAS Name: 2-amino-4-(hydrazinesulfonyl)butanoic acid
OPENEYE Name: 2-amino-4-(hydrazinesulfonyl)butanoic acid
IUPAC Name: 2-amino-4-(hydrazinesulfonyl)butanoic acid
SYSTEMATIC NAME: 4-(aminosulfamoyl)-2-azanyl-butanoic acid
MOLECULAR FORMULA: C4H11N3O4S
MOLECULAR WEIGHT: 197.21284
SMILES: C(CS(=O)(=O)NN)C(C(=O)O)N
Structure:

CAS RN: 30563-27-0
CAS Name: 2-nitroacetic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2-nitroacetate
IUPAC Name: benzyl 2-nitroacetate
SYSTEMATIC NAME: (phenylmethyl) 2-nitroethanoate
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: C1=CC=C(C=C1)COC(=O)C[N+](=O)[O-]
Structure:

CAS RN: 74427-06-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H22ClNO6
MOLECULAR WEIGHT: 443.87688
SMILES: CC(=O)OC1=CC2=C3C(CC4=C(C3=C1)C(=C(C=C4)OC)OC(=O)C)N(CC2)C(=O)CCl
Structure:

CAS RN: 64157-41-1
CAS Name: 4-[4-(2-chloroethylamino)phenyl]-N-ethyl-3-isoquinolinamine
OPENEYE Name: 4-[4-(2-chloroethylamino)phenyl]-N-ethyl-isoquinolin-3-amine
IUPAC Name: 4-[4-(2-chloroethylamino)phenyl]-N-ethylisoquinolin-3-amine
SYSTEMATIC NAME: 4-[4-(2-chloroethylamino)phenyl]-N-ethyl-isoquinolin-3-amine
MOLECULAR FORMULA: C19H20ClN3
MOLECULAR WEIGHT: 325.8352
SMILES: CCNC1=C(C2=CC=CC=C2C=N1)C3=CC=C(C=C3)NCCCl
Structure:

CAS RN: 67304-41-0
CAS Name: 2-(3-phenylpropylthio)naphthalene-1,4-dione
OPENEYE Name: 2-(3-phenylpropylsulfanyl)naphthalene-1,4-dione
IUPAC Name: 2-(3-phenylpropylsulfanyl)naphthalene-1,4-dione
SYSTEMATIC NAME: 2-(3-phenylpropylsulfanyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C19H16O2S
MOLECULAR WEIGHT: 308.39414
SMILES: C1=CC=C(C=C1)CCCSC2=CC(=O)C3=CC=CC=C3C2=O
Structure:

CAS RN: 29102-47-4
CAS Name: 2-(1-aziridinyl)-3-(2-chloroethyl)-1,3,2$l^{5}-oxazaphosphorinane 2-oxide
OPENEYE Name: 2-(aziridin-1-yl)-3-(2-chloroethyl)-1,3,2$l^{5}-oxazaphosphinane 2-oxide
IUPAC Name: 2-(aziridin-1-yl)-3-(2-chloroethyl)-1,3,2$l^{5}-oxazaphosphinane 2-oxide
SYSTEMATIC NAME: 2-(aziridin-1-yl)-3-(2-chloroethyl)-1,3,2$l^{5}-oxazaphosphinane 2-oxide
MOLECULAR FORMULA: C7H14ClN2O2P
MOLECULAR WEIGHT: 224.625021
SMILES: C1CN(P(=O)(OC1)N2CC2)CCCl
Structure:

CAS RN: 67031-19-0
CAS Name: 4-[(2,4-dinitrophenyl)hydrazinylidene]-2-(4-methoxyphenyl)butanoic acid methyl ester
OPENEYE Name: methyl 4-[(2,4-dinitrophenyl)hydrazono]-2-(4-methoxyphenyl)butanoate
IUPAC Name: methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]-2-(4-methoxyphenyl)butanoate
SYSTEMATIC NAME: methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]-2-(4-methoxyphenyl)butanoate
MOLECULAR FORMULA: C18H18N4O7
MOLECULAR WEIGHT: 402.35812
SMILES: COC1=CC=C(C=C1)C(CC=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC
Structure:

CAS RN: 14815-73-7
CAS Name: 2-phenyl-4-pentenoic acid methyl ester
OPENEYE Name: methyl 2-phenylpent-4-enoate
IUPAC Name: methyl 2-phenylpent-4-enoate
SYSTEMATIC NAME: methyl 2-phenylpent-4-enoate
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: COC(=O)C(CC=C)C1=CC=CC=C1
Structure:

CAS RN: 67031-09-8
CAS Name: 2-(4-chlorophenyl)-4-pentenoic acid methyl ester
OPENEYE Name: methyl 2-(4-chlorophenyl)pent-4-enoate
IUPAC Name: methyl 2-(4-chlorophenyl)pent-4-enoate
SYSTEMATIC NAME: methyl 2-(4-chlorophenyl)pent-4-enoate
MOLECULAR FORMULA: C12H13ClO2
MOLECULAR WEIGHT: 224.68342
SMILES: COC(=O)C(CC=C)C1=CC=C(C=C1)Cl
Structure:

CAS RN: 67938-73-2
CAS Name: 3-methyl-6-nitro-1-imidazo[1,5-a]pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-methyl-6-nitro-imidazo[1,5-a]pyridine-1-carboxylate
IUPAC Name: ethyl 3-methyl-6-nitroimidazo[1,5-a]pyridine-1-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-6-nitro-imidazo[1,5-a]pyridine-1-carboxylate
MOLECULAR FORMULA: C11H11N3O4
MOLECULAR WEIGHT: 249.22274
SMILES: CCOC(=O)C1=C2C=CC(=CN2C(=N1)C)[N+](=O)[O-]
Structure:

CAS RN: 67031-08-7
CAS Name: 2-(4-fluorophenyl)-4-pentenoic acid methyl ester
OPENEYE Name: methyl 2-(4-fluorophenyl)pent-4-enoate
IUPAC Name: methyl 2-(4-fluorophenyl)pent-4-enoate
SYSTEMATIC NAME: methyl 2-(4-fluorophenyl)pent-4-enoate
MOLECULAR FORMULA: C12H13FO2
MOLECULAR WEIGHT: 208.228823
SMILES: COC(=O)C(CC=C)C1=CC=C(C=C1)F
Structure:

CAS RN: 67031-11-2
CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-pentenoic acid methyl ester
OPENEYE Name: methyl 2-(3,4,5-trimethoxyphenyl)pent-4-enoate
IUPAC Name: methyl 2-(3,4,5-trimethoxyphenyl)pent-4-enoate
SYSTEMATIC NAME: methyl 2-(3,4,5-trimethoxyphenyl)pent-4-enoate
MOLECULAR FORMULA: C15H20O5
MOLECULAR WEIGHT: 280.3163
SMILES: COC1=CC(=CC(=C1OC)OC)C(CC=C)C(=O)OC
Structure:

CAS RN: 70962-64-0
CAS Name: [2-[[1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]amino]-2-oxoethyl]phosphonic acid
OPENEYE Name: [2-[(3-benzyloxy-1-benzyloxycarbonyl-3-oxo-propyl)amino]-2-oxo-ethyl]phosphonic acid
IUPAC Name: [2-[[1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]amino]-2-oxoethyl]phosphonic acid
SYSTEMATIC NAME: [2-[[1,4-bis(oxidanylidene)-1,4-bis(phenylmethoxy)butan-2-yl]amino]-2-oxidanylidene-ethyl]phosphonic acid
MOLECULAR FORMULA: C20H22NO8P
MOLECULAR WEIGHT: 435.364341
SMILES: C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CP(=O)(O)O
Structure:

CAS RN: 1721-95-5
CAS Name: 1,4-dimethylisoquinoline
OPENEYE Name: 1,4-dimethylisoquinoline
IUPAC Name: 1,4-dimethylisoquinoline
SYSTEMATIC NAME: 1,4-dimethylisoquinoline
MOLECULAR FORMULA: C11H11N
MOLECULAR WEIGHT: 157.21174
SMILES: CC1=CN=C(C2=CC=CC=C12)C
Structure:

CAS RN: 59261-37-9
CAS Name: 1,4-dimethyl-3,4-dihydroisoquinoline
OPENEYE Name: 1,4-dimethyl-3,4-dihydroisoquinoline
IUPAC Name: 1,4-dimethyl-3,4-dihydroisoquinoline
SYSTEMATIC NAME: 1,4-dimethyl-3,4-dihydroisoquinoline
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CC1CN=C(C2=CC=CC=C12)C
Structure:

CAS RN: 22596-62-9
CAS Name: N-(2-phenylpropyl)acetamide
OPENEYE Name: N-(2-phenylpropyl)acetamide
IUPAC Name: N-(2-phenylpropyl)acetamide
SYSTEMATIC NAME: N-(2-phenylpropyl)ethanamide
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CC(CNC(=O)C)C1=CC=CC=C1
Structure:

CAS RN: 76139-65-6
CAS Name: 1-hydroxy-3,5-dimethyl-4-pyridinimine
OPENEYE Name: 1-hydroxy-3,5-dimethyl-pyridin-4-imine
IUPAC Name: 1-hydroxy-3,5-dimethylpyridin-4-imine
SYSTEMATIC NAME: 3,5-dimethyl-1-oxidanyl-pyridin-4-imine
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: CC1=CN(C=C(C1=N)C)O
Structure:

CAS RN: 63286-28-2
CAS Name: (3-chloro-2-pyrazinyl)hydrazine
OPENEYE Name: (3-chloropyrazin-2-yl)hydrazine
IUPAC Name: (3-chloropyrazin-2-yl)hydrazine
SYSTEMATIC NAME: (3-chloranylpyrazin-2-yl)diazane
MOLECULAR FORMULA: C4H5ClN4
MOLECULAR WEIGHT: 144.5623
SMILES: C1=CN=C(C(=N1)NN)Cl
Structure:

CAS RN: 61017-52-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H54N4O9
MOLECULAR WEIGHT: 806.94236
SMILES: CCC1=C[C@@H]2C[C@@](C3=C(CCN(C1)C2=O)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
Structure:

CAS RN: 65367-73-9
CAS Name: (2-bromo-4,5-dimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
OPENEYE Name: (2-bromo-4,5-dimethoxy-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SYSTEMATIC NAME: (2-bromanyl-4,5-dimethoxy-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
MOLECULAR FORMULA: C18H18BrNO3
MOLECULAR WEIGHT: 376.24442
SMILES: COC1=C(C=C(C(=C1)C(=O)N2CCCC3=CC=CC=C32)Br)OC
Structure:

CAS RN: 68707-78-8
CAS Name: 5,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-3-pyridinamine
OPENEYE Name: 5,6-dimethyl-4-(2,3,4-trimethoxyphenyl)pyridin-3-amine
IUPAC Name: 5,6-dimethyl-4-(2,3,4-trimethoxyphenyl)pyridin-3-amine
SYSTEMATIC NAME: 5,6-dimethyl-4-(2,3,4-trimethoxyphenyl)pyridin-3-amine
MOLECULAR FORMULA: C16H20N2O3
MOLECULAR WEIGHT: 288.3416
SMILES: CC1=C(C(=CN=C1C)N)C2=C(C(=C(C=C2)OC)OC)OC
Structure:

CAS RN: 56752-25-1
CAS Name: 3-(3-nitrophenyl)-3H-diazirine
OPENEYE Name: 3-(3-nitrophenyl)-3H-diazirine
IUPAC Name: 3-(3-nitrophenyl)-3H-diazirine
SYSTEMATIC NAME: 3-(3-nitrophenyl)-3H-1,2-diazirine
MOLECULAR FORMULA: C7H5N3O2
MOLECULAR WEIGHT: 163.1335
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2N=N2
Structure:

CAS RN: 15948-95-5
CAS Name: 3,6-bis(chloromethyl)piperazine-2,5-dione
OPENEYE Name: 3,6-bis(chloromethyl)piperazine-2,5-dione
IUPAC Name: 3,6-bis(chloromethyl)piperazine-2,5-dione
SYSTEMATIC NAME: 3,6-bis(chloromethyl)piperazine-2,5-dione
MOLECULAR FORMULA: C6H8Cl2N2O2
MOLECULAR WEIGHT: 211.04592
SMILES: C(C1C(=O)NC(C(=O)N1)CCl)Cl
Structure:

CAS RN: 78586-34-2
CAS Name: acetic acid [3,4-diacetyloxy-5-(4-anilino-1-pyrazolo[3,4-d]pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(4-anilinopyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(4-anilinopyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(4-phenylazanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C22H23N5O7
MOLECULAR WEIGHT: 469.44732
SMILES: CC(=O)OCC1C(C(C(O1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC=C4)OC(=O)C)OC(=O)C
Structure:

CAS RN: 78586-43-3
CAS Name: 2-[4-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]-1-pyrazolo[3,4-d]pyrimidinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[4-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylene]hydrazino]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[4-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-[4-[2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydrazinyl]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C21H25Cl2N7O4
MOLECULAR WEIGHT: 510.3737
SMILES: C1=CC(=CC=C1C=NNC2=NC=NC3=C2C=NN3C4C(C(C(O4)CO)O)O)N(CCCl)CCCl
Structure:

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