Thursday, June 28, 2012

http://ChemLookup.com Compounds




CAS RN: 35061-42-8
CAS Name: 2-[2,3-dimethyl-3-(2-pyridinyl)butan-2-yl]pyridine
OPENEYE Name: 2-[1,1,2-trimethyl-2-(2-pyridyl)propyl]pyridine
IUPAC Name: 2-(2,3-dimethyl-3-pyridin-2-ylbutan-2-yl)pyridine
SYSTEMATIC NAME: 2-(2,3-dimethyl-3-pyridin-2-yl-butan-2-yl)pyridine
MOLECULAR FORMULA: C16H20N2
MOLECULAR WEIGHT: 240.3434
SMILES: CC(C)(C1=CC=CC=N1)C(C)(C)C2=CC=CC=N2
Structure:

CAS RN: 56970-91-3
CAS Name: 2-pyridinyl(3-pyridinyl)methanone
OPENEYE Name: 2-pyridyl(3-pyridyl)methanone
IUPAC Name: pyridin-2-yl(pyridin-3-yl)methanone
SYSTEMATIC NAME: pyridin-2-yl(pyridin-3-yl)methanone
MOLECULAR FORMULA: C11H8N2O
MOLECULAR WEIGHT: 184.19402
SMILES: C1=CC=NC(=C1)C(=O)C2=CN=CC=C2
Structure:

CAS RN: 13484-66-7
CAS Name: [3,4-dihydroxy-5-[6-[(phenylmethyl)amino]-9-purinyl]-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C17H20N5O7P
MOLECULAR WEIGHT: 437.343761
SMILES: C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)COP(=O)(O)O)O)O
Structure:

CAS RN: 5211-73-4
CAS Name: N-nitroso-N-prop-2-enylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-allyl-N-nitroso-carbamate
IUPAC Name: ethyl N-nitroso-N-prop-2-enylcarbamate
SYSTEMATIC NAME: ethyl N-nitroso-N-prop-2-enyl-carbamate
MOLECULAR FORMULA: C6H10N2O3
MOLECULAR WEIGHT: 158.1552
SMILES: CCOC(=O)N(CC=C)N=O
Structure:

CAS RN: 6558-80-1
CAS Name: N-nitroso-N-prop-2-enylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-allyl-N-nitroso-carbamate
IUPAC Name: ethyl N-nitroso-N-prop-2-enylcarbamate
SYSTEMATIC NAME: ethyl N-nitroso-N-prop-2-enyl-carbamate
MOLECULAR FORMULA: C6H10N2O3
MOLECULAR WEIGHT: 158.1552
SMILES: CCOC(=O)N(CC=C)N=O
Structure:

CAS RN: 451-31-0
CAS Name: 2-[[oxo-[4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]methyl]amino]pentanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate
IUPAC Name: diethyl 2-[[4-[(2,2,2-trifluoroacetyl)amino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl 2-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C18H21F3N2O6
MOLECULAR WEIGHT: 418.36435
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC(=O)C(F)(F)F
Structure:

CAS RN: 35193-70-5
CAS Name: 1-(2-methoxy-1-naphthalenyl)-2-naphthalenol
OPENEYE Name: 1-(2-methoxy-1-naphthyl)naphthalen-2-ol
IUPAC Name: 1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
SYSTEMATIC NAME: 1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
MOLECULAR FORMULA: C21H16O2
MOLECULAR WEIGHT: 300.35054
SMILES: COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)O
Structure:

CAS RN: 79547-82-3
CAS Name: 1-(2-methoxy-1-naphthalenyl)-2-naphthalenol
OPENEYE Name: 1-(2-methoxy-1-naphthyl)naphthalen-2-ol
IUPAC Name: 1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
SYSTEMATIC NAME: 1-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
MOLECULAR FORMULA: C21H16O2
MOLECULAR WEIGHT: 300.35054
SMILES: COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)O
Structure:

CAS RN: 74916-44-2
CAS Name: 7-fluoro-1,2,4-benzotriazin-3-amine
OPENEYE Name: 7-fluoro-1,2,4-benzotriazin-3-amine
IUPAC Name: 7-fluoro-1,2,4-benzotriazin-3-amine
SYSTEMATIC NAME: 7-fluoranyl-1,2,4-benzotriazin-3-amine
MOLECULAR FORMULA: C7H5FN4
MOLECULAR WEIGHT: 164.139803
SMILES: C1=CC2=C(C=C1F)N=NC(=N2)N
Structure:

CAS RN: 27238-39-7
CAS Name: 7-methyl-1,2,4-benzotriazin-3-amine
OPENEYE Name: 7-methyl-1,2,4-benzotriazin-3-amine
IUPAC Name: 7-methyl-1,2,4-benzotriazin-3-amine
SYSTEMATIC NAME: 7-methyl-1,2,4-benzotriazin-3-amine
MOLECULAR FORMULA: C8H8N4
MOLECULAR WEIGHT: 160.17592
SMILES: CC1=CC2=C(C=C1)N=C(N=N2)N
Structure:

CAS RN: 1090-42-2
CAS Name: N-(2,6-diacetamido-5-nitroso-4-pyrimidinyl)acetamide
OPENEYE Name: N-(2,6-diacetamido-5-nitroso-pyrimidin-4-yl)acetamide
IUPAC Name: N-(2,6-diacetamido-5-nitrosopyrimidin-4-yl)acetamide
SYSTEMATIC NAME: N-(2,6-diacetamido-5-nitroso-pyrimidin-4-yl)ethanamide
MOLECULAR FORMULA: C10H12N6O4
MOLECULAR WEIGHT: 280.24008
SMILES: CC(=O)NC1=C(C(=NC(=N1)NC(=O)C)NC(=O)C)N=O
Structure:

CAS RN: 13252-22-7
CAS Name: [4-[[4-(carbamoylamino)phenyl]methyl]phenyl]urea
OPENEYE Name: [4-[(4-ureidophenyl)methyl]phenyl]urea
IUPAC Name: [4-[[4-(carbamoylamino)phenyl]methyl]phenyl]urea
SYSTEMATIC NAME: 1-[4-[[4-(aminocarbonylamino)phenyl]methyl]phenyl]urea
MOLECULAR FORMULA: C15H16N4O2
MOLECULAR WEIGHT: 284.31314
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)N)NC(=O)N
Structure:

CAS RN: 39909-84-7
CAS Name: N-(3,5-dimethylphenyl)-1-[4-[(3,5-dimethylphenyl)iminomethyl]phenyl]methanimine
OPENEYE Name: N-(3,5-dimethylphenyl)-1-[4-[(3,5-dimethylphenyl)iminomethyl]phenyl]methanimine
IUPAC Name: N-(3,5-dimethylphenyl)-1-[4-[(3,5-dimethylphenyl)iminomethyl]phenyl]methanimine
SYSTEMATIC NAME: N-(3,5-dimethylphenyl)-1-[4-[(3,5-dimethylphenyl)iminomethyl]phenyl]methanimine
MOLECULAR FORMULA: C24H24N2
MOLECULAR WEIGHT: 340.46076
SMILES: CC1=CC(=CC(=C1)N=CC2=CC=C(C=C2)C=NC3=CC(=CC(=C3)C)C)C
Structure:

CAS RN: 184-26-9
CAS Name: 1,4-dioxaspiro[4.6]undecane
OPENEYE Name: 1,4-dioxaspiro[4.6]undecane
IUPAC Name: 1,4-dioxaspiro[4.6]undecane
SYSTEMATIC NAME: 1,4-dioxaspiro[4.6]undecane
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: C1CCCC2(CC1)OCCO2
Structure:

CAS RN: 41330-04-5
CAS Name: 6,11-dibromo-1,4-dioxaspiro[4.6]undecane
OPENEYE Name: 6,11-dibromo-1,4-dioxaspiro[4.6]undecane
IUPAC Name: 6,11-dibromo-1,4-dioxaspiro[4.6]undecane
SYSTEMATIC NAME: 6,11-bis(bromanyl)-1,4-dioxaspiro[4.6]undecane
MOLECULAR FORMULA: C9H14Br2O2
MOLECULAR WEIGHT: 314.01426
SMILES: C1CCC(C2(C(C1)Br)OCCO2)Br
Structure:

CAS RN: 49790-76-3
CAS Name: 1,3-diphenyl-2-aziridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1,3-diphenylaziridine-2-carboxylate
IUPAC Name: ethyl 1,3-diphenylaziridine-2-carboxylate
SYSTEMATIC NAME: ethyl 1,3-diphenylaziridine-2-carboxylate
MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: CCOC(=O)C1C(N1C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 52179-53-0
CAS Name: 1-phenyl-2,3-dihydro-1H-2-benzazepine
OPENEYE Name: 1-phenyl-2,3-dihydro-1H-2-benzazepine
IUPAC Name: 1-phenyl-2,3-dihydro-1H-2-benzazepine
SYSTEMATIC NAME: 1-phenyl-2,3-dihydro-1H-2-benzazepine
MOLECULAR FORMULA: C16H15N
MOLECULAR WEIGHT: 221.297
SMILES: C1C=CC2=CC=CC=C2C(N1)C3=CC=CC=C3
Structure:

CAS RN: 51051-92-4
CAS Name: 2,2-dimethyl-5-(2-naphthalenyl)-3,4-dihydropyrrole-3-carbonitrile
OPENEYE Name: 2,2-dimethyl-5-(2-naphthyl)-3,4-dihydropyrrole-3-carbonitrile
IUPAC Name: 2,2-dimethyl-5-naphthalen-2-yl-3,4-dihydropyrrole-3-carbonitrile
SYSTEMATIC NAME: 2,2-dimethyl-5-naphthalen-2-yl-3,4-dihydropyrrole-3-carbonitrile
MOLECULAR FORMULA: C17H16N2
MOLECULAR WEIGHT: 248.32234
SMILES: CC1(C(CC(=N1)C2=CC3=CC=CC=C3C=C2)C#N)C
Structure:

CAS RN: 16340-51-5
CAS Name: 2,2,3,3-tetramethyl-5,6-diphenylpyrazine
OPENEYE Name: 2,2,3,3-tetramethyl-5,6-diphenyl-pyrazine
IUPAC Name: 2,2,3,3-tetramethyl-5,6-diphenylpyrazine
SYSTEMATIC NAME: 2,2,3,3-tetramethyl-5,6-diphenyl-pyrazine
MOLECULAR FORMULA: C20H22N2
MOLECULAR WEIGHT: 290.40208
SMILES: CC1(C(N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)(C)C)C
Structure:

CAS RN: 76636-01-6
CAS Name: 2-methyl-1-(2-naphthalenyl)-1-propanol
OPENEYE Name: 2-methyl-1-(2-naphthyl)propan-1-ol
IUPAC Name: 2-methyl-1-naphthalen-2-ylpropan-1-ol
SYSTEMATIC NAME: 2-methyl-1-naphthalen-2-yl-propan-1-ol
MOLECULAR FORMULA: C14H16O
MOLECULAR WEIGHT: 200.27624
SMILES: CC(C)C(C1=CC2=CC=CC=C2C=C1)O
Structure:

CAS RN: 76242-11-0
CAS Name: [4-ethylsulfinyl-4-(ethylthio)but-1-enyl]benzene
OPENEYE Name: (4-ethylsulfanyl-4-ethylsulfinyl-but-1-enyl)benzene
IUPAC Name: (4-ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene
SYSTEMATIC NAME: (4-ethylsulfanyl-4-ethylsulfinyl-but-1-enyl)benzene
MOLECULAR FORMULA: C14H20OS2
MOLECULAR WEIGHT: 268.438
SMILES: CCSC(CC=CC1=CC=CC=C1)S(=O)CC
Structure:

CAS RN: 5369-56-2
CAS Name: 2,4-diphenyl-2H-furan-5-one
OPENEYE Name: 2,4-diphenyl-2H-furan-5-one
IUPAC Name: 2,4-diphenyl-2H-furan-5-one
SYSTEMATIC NAME: 2,4-diphenyl-2H-furan-5-one
MOLECULAR FORMULA: C16H12O2
MOLECULAR WEIGHT: 236.26528
SMILES: C1=CC=C(C=C1)C2C=C(C(=O)O2)C3=CC=CC=C3
Structure:

CAS RN: 57827-50-6
CAS Name: 2-but-2-enyl-2-methyl-3-phenylazirine
OPENEYE Name: 2-but-2-enyl-2-methyl-3-phenyl-azirine
IUPAC Name: 2-but-2-enyl-2-methyl-3-phenylazirine
SYSTEMATIC NAME: 2-but-2-enyl-2-methyl-3-phenyl-azirine
MOLECULAR FORMULA: C13H15N
MOLECULAR WEIGHT: 185.2649
SMILES: CC=CCC1(C(=N1)C2=CC=CC=C2)C
Structure:

CAS RN: 55006-98-9
CAS Name: 1-(1-phenylethenyl)-2-[2-(1-phenylethenyl)phenyl]benzene
OPENEYE Name: 1-(1-phenylvinyl)-2-[2-(1-phenylvinyl)phenyl]benzene
IUPAC Name: 1-(1-phenylethenyl)-2-[2-(1-phenylethenyl)phenyl]benzene
SYSTEMATIC NAME: 1-(1-phenylethenyl)-2-[2-(1-phenylethenyl)phenyl]benzene
MOLECULAR FORMULA: C28H22
MOLECULAR WEIGHT: 358.47428
SMILES: C=C(C1=CC=CC=C1)C2=CC=CC=C2C3=CC=CC=C3C(=C)C4=CC=CC=C4
Structure:

CAS RN: 33065-23-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: C1CC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)C1
Structure:

CAS RN: 59961-17-0
CAS Name: 4-oxo-1H-2-benzothiopyran-3-carboxylic acid methyl ester
OPENEYE Name: methyl 4-oxoisothiochromane-3-carboxylate
IUPAC Name: methyl 4-oxo-1H-isothiochromene-3-carboxylate
SYSTEMATIC NAME: methyl 4-oxidanylidene-1H-isothiochromene-3-carboxylate
MOLECULAR FORMULA: C11H10O3S
MOLECULAR WEIGHT: 222.2603
SMILES: COC(=O)C1C(=O)C2=CC=CC=C2CS1
Structure:

CAS RN: 32521-36-1
CAS Name: 3-phenyl-3,4-dihydro-1H-2-benzopyran-4-one
OPENEYE Name: 3-phenylisochroman-4-one
IUPAC Name: 3-phenyl-1H-isochromen-4-one
SYSTEMATIC NAME: 3-phenyl-1H-isochromen-4-one
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1C2=CC=CC=C2C(=O)C(O1)C3=CC=CC=C3
Structure:

CAS RN: 54193-70-3
CAS Name: 3,4-diphenyl-1H-2-benzopyran
OPENEYE Name: 3,4-diphenyl-1H-isochromene
IUPAC Name: 3,4-diphenyl-1H-isochromene
SYSTEMATIC NAME: 3,4-diphenyl-1H-isochromene
MOLECULAR FORMULA: C21H16O
MOLECULAR WEIGHT: 284.35114
SMILES: C1C2=CC=CC=C2C(=C(O1)C3=CC=CC=C3)C4=CC=CC=C4
Structure:

CAS RN: 4612-64-0
CAS Name: 9-(bromomethylidene)fluorene
OPENEYE Name: 9-(bromomethylene)fluorene
IUPAC Name: 9-(bromomethylidene)fluorene
SYSTEMATIC NAME: 9-(bromanylmethylidene)fluorene
MOLECULAR FORMULA: C14H9Br
MOLECULAR WEIGHT: 257.12526
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2=CBr
Structure:

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