CAS RN: 3939-12-6
CAS Name: 6-fluoro-3-pyridinecarbonitrile
OPENEYE Name: 6-fluoropyridine-3-carbonitrile
IUPAC Name: 6-fluoropyridine-3-carbonitrile
SYSTEMATIC NAME: 6-fluoranylpyridine-3-carbonitrile
MOLECULAR FORMULA: C6H3FN2
MOLECULAR WEIGHT: 122.099823
SMILES: C1=CC(=NC=C1C#N)F
Structure:
CAS RN: 154350-29-5
CAS Name: cyclopropanesulfonamide
OPENEYE Name: cyclopropanesulfonamide
IUPAC Name: cyclopropanesulfonamide
SYSTEMATIC NAME: cyclopropanesulfonamide
MOLECULAR FORMULA: C3H7NO2S
MOLECULAR WEIGHT: 121.15818
SMILES: C1CC1S(=O)(=O)N
Structure:
CAS RN: 7101-46-4
CAS Name: tetraammonium 1,1-diphosphonatoethanol
OPENEYE Name: tetraammonium 1,1-diphosphonatoethanol
IUPAC Name: tetraazanium 1,1-diphosphonatoethanol
SYSTEMATIC NAME: tetraazanium 1,1-diphosphonatoethanol
MOLECULAR FORMULA: C2H20N4O7P2
MOLECULAR WEIGHT: 274.150322
SMILES: CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
Structure:
CAS RN: 68611-47-2
CAS Name: dizinc silicate
OPENEYE Name: dizinc silicate
IUPAC Name: dizinc silicate
SYSTEMATIC NAME: dizinc silicate
MOLECULAR FORMULA: O4SiZn2
MOLECULAR WEIGHT: 222.9011
SMILES: [O-][Si]([O-])([O-])[O-].[Zn+2].[Zn+2]
Structure:
CAS RN: 13843-41-9
CAS Name: tetralithium phosphonato phosphate
OPENEYE Name: tetralithium phosphonato phosphate
IUPAC Name: tetralithium phosphonato phosphate
SYSTEMATIC NAME: tetralithium phosphonato phosphate
MOLECULAR FORMULA: Li4O7P2
MOLECULAR WEIGHT: 201.707322
SMILES: [Li+].[Li+].[Li+].[Li+].[O-]P(=O)([O-])OP(=O)([O-])[O-]
Structure:
CAS RN: 81682-53-3
CAS Name: 2-oxo-2-(propylamino)acetic acid
OPENEYE Name: 2-oxo-2-(propylamino)acetic acid
IUPAC Name: 2-oxo-2-(propylamino)acetic acid
SYSTEMATIC NAME: 2-oxidanylidene-2-(propylamino)ethanoic acid
MOLECULAR FORMULA: C5H9NO3
MOLECULAR WEIGHT: 131.12986
SMILES: CCCNC(=O)C(=O)O
Structure:
CAS RN: 19646-06-1
CAS Name: 4,6-diiodopyrimidine
OPENEYE Name: 4,6-diiodopyrimidine
IUPAC Name: 4,6-diiodopyrimidine
SYSTEMATIC NAME: 4,6-bis(iodanyl)pyrimidine
MOLECULAR FORMULA: C4H2I2N2
MOLECULAR WEIGHT: 331.88102
SMILES: C1=C(N=CN=C1I)I
Structure:
CAS RN: 20849-50-7
CAS Name: 2-methyl-1-prop-2-enylquinolin-1-ium iodide
OPENEYE Name: 1-allyl-2-methyl-quinolin-1-ium iodide
IUPAC Name: 2-methyl-1-prop-2-enylquinolin-1-ium iodide
SYSTEMATIC NAME: 2-methyl-1-prop-2-enyl-quinolin-1-ium iodide
MOLECULAR FORMULA: C13H14IN
MOLECULAR WEIGHT: 311.16143
SMILES: CC1=[N+](C2=CC=CC=C2C=C1)CC=C.[I-]
Structure:
CAS RN: 494833-75-9
CAS Name: N-(5-bromo-3-thiophenyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(5-bromo-3-thienyl)carbamate
IUPAC Name: tert-butyl N-(5-bromothiophen-3-yl)carbamate
SYSTEMATIC NAME: tert-butyl N-(5-bromanylthiophen-3-yl)carbamate
MOLECULAR FORMULA: C9H12BrNO2S
MOLECULAR WEIGHT: 278.16608
SMILES: CC(C)(C)OC(=O)NC1=CSC(=C1)Br
Structure:
CAS RN: 130416-46-5
CAS Name: 4-(2-aminopropan-2-yl)benzonitrile
OPENEYE Name: 4-(1-amino-1-methyl-ethyl)benzonitrile
IUPAC Name: 4-(2-aminopropan-2-yl)benzonitrile
SYSTEMATIC NAME: 4-(2-azanylpropan-2-yl)benzenecarbonitrile
MOLECULAR FORMULA: C10H12N2
MOLECULAR WEIGHT: 160.21568
SMILES: CC(C)(C1=CC=C(C=C1)C#N)N
Structure:
CAS RN: 69878-51-9
CAS Name: N-(4-methyl-1H-benzimidazol-2-yl)carbamic acid methyl ester
OPENEYE Name: methyl N-(4-methyl-1H-benzimidazol-2-yl)carbamate
IUPAC Name: methyl N-(4-methyl-1H-benzimidazol-2-yl)carbamate
SYSTEMATIC NAME: methyl N-(4-methyl-1H-benzimidazol-2-yl)carbamate
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: CC1=C2C(=CC=C1)NC(=N2)NC(=O)OC
Structure:
CAS RN: 121219-25-8
CAS Name: 1,3-difluoro-5-pentylbenzene
OPENEYE Name: 1,3-difluoro-5-pentyl-benzene
IUPAC Name: 1,3-difluoro-5-pentylbenzene
SYSTEMATIC NAME: 1,3-bis(fluoranyl)-5-pentyl-benzene
MOLECULAR FORMULA: C11H14F2
MOLECULAR WEIGHT: 184.225666
SMILES: CCCCCC1=CC(=CC(=C1)F)F
Structure:
CAS RN: 578-28-9
CAS Name: 1-chloro-2,5-difluoro-4-nitrobenzene
OPENEYE Name: 1-chloro-2,5-difluoro-4-nitro-benzene
IUPAC Name: 1-chloro-2,5-difluoro-4-nitrobenzene
SYSTEMATIC NAME: 1-chloranyl-2,5-bis(fluoranyl)-4-nitro-benzene
MOLECULAR FORMULA: C6H2ClF2NO2
MOLECULAR WEIGHT: 193.535386
SMILES: C1=C(C(=CC(=C1F)Cl)F)[N+](=O)[O-]
Structure:
CAS RN: 125060-66-4
CAS Name: 6-iodo-N,N-dimethyl-2-pyrazinamine
OPENEYE Name: 6-iodo-N,N-dimethyl-pyrazin-2-amine
IUPAC Name: 6-iodo-N,N-dimethylpyrazin-2-amine
SYSTEMATIC NAME: 6-iodanyl-N,N-dimethyl-pyrazin-2-amine
MOLECULAR FORMULA: C6H8IN3
MOLECULAR WEIGHT: 249.05229
SMILES: CN(C)C1=CN=CC(=N1)I
Structure:
CAS RN: 126050-30-4
CAS Name: 2-aminoethanol; nonanoic acid
OPENEYE Name: 2-aminoethanol; nonanoic acid
IUPAC Name: 2-aminoethanol; nonanoic acid
SYSTEMATIC NAME: 2-azanylethanol; nonanoic acid
MOLECULAR FORMULA: C11H25NO3
MOLECULAR WEIGHT: 219.3211
SMILES: CCCCCCCCC(=O)O.C(CO)N
Structure:
CAS RN: 2243-63-2
CAS Name: naphthalene-1,6-diamine
OPENEYE Name: naphthalene-1,6-diamine
IUPAC Name: naphthalene-1,6-diamine
SYSTEMATIC NAME: naphthalene-1,6-diamine
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: C1=CC2=C(C=CC(=C2)N)C(=C1)N
Structure:
CAS RN: 159299-93-1
CAS Name: 4-oxopiperidine-1,3-dicarboxylic acid O3-methyl ester O1-(phenylmethyl) ester
OPENEYE Name: O1-benzyl O3-methyl 4-oxopiperidine-1,3-dicarboxylate
IUPAC Name: 1-O-benzyl 3-O-methyl 4-oxopiperidine-1,3-dicarboxylate
SYSTEMATIC NAME: O3-methyl O1-(phenylmethyl) 4-oxidanylidenepiperidine-1,3-dicarboxylate
MOLECULAR FORMULA: C15H17NO5
MOLECULAR WEIGHT: 291.29918
SMILES: COC(=O)C1CN(CCC1=O)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 121206-76-6
CAS Name: 5-bromo-3-(1-methyl-4-piperidinyl)-1H-indole
OPENEYE Name: 5-bromo-3-(1-methyl-4-piperidyl)-1H-indole
IUPAC Name: 5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
SYSTEMATIC NAME: 5-bromanyl-3-(1-methylpiperidin-4-yl)-1H-indole
MOLECULAR FORMULA: C14H17BrN2
MOLECULAR WEIGHT: 293.20218
SMILES: CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)Br
Structure:
CAS RN: 93963-39-4
CAS Name: propanoic acid 3-bicyclo[2.2.1]heptanylmethyl ester
OPENEYE Name: norbornan-2-ylmethyl propanoate
IUPAC Name: 3-bicyclo[2.2.1]heptanylmethyl propanoate
SYSTEMATIC NAME: 3-bicyclo[2.2.1]heptanylmethyl propanoate
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: CCC(=O)OCC1CC2CCC1C2
Structure:
CAS RN: 139633-98-0
CAS Name: (1-ethynylcyclopropyl)benzene
OPENEYE Name: (1-ethynylcyclopropyl)benzene
IUPAC Name: (1-ethynylcyclopropyl)benzene
SYSTEMATIC NAME: (1-ethynylcyclopropyl)benzene
MOLECULAR FORMULA: C11H10
MOLECULAR WEIGHT: 142.1971
SMILES: C#CC1(CC1)C2=CC=CC=C2
Structure:
CAS RN: 149771-44-8
CAS Name: 3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate
IUPAC Name: tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate
SYSTEMATIC NAME: tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate
MOLECULAR FORMULA: C11H20N2O2
MOLECULAR WEIGHT: 212.2887
SMILES: CC(C)(C)OC(=O)N1C2CCC1CNC2
Structure:
CAS RN: 71486-42-5
CAS Name: 4-(dimethylamino)-2-phenyl-2-(2-pyridinyl)butanenitrile
OPENEYE Name: 4-(dimethylamino)-2-phenyl-2-(2-pyridyl)butanenitrile
IUPAC Name: 4-(dimethylamino)-2-phenyl-2-pyridin-2-ylbutanenitrile
SYSTEMATIC NAME: 4-(dimethylamino)-2-phenyl-2-pyridin-2-yl-butanenitrile
MOLECULAR FORMULA: C17H19N3
MOLECULAR WEIGHT: 265.35286
SMILES: CN(C)CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=N2
Structure:
CAS RN: 146431-20-1
CAS Name: 5-bromo-2,2,3,3-tetrafluoro-1-benzothiophene
OPENEYE Name: 5-bromo-2,2,3,3-tetrafluoro-benzothiophene
IUPAC Name: 5-bromo-2,2,3,3-tetrafluoro-1-benzothiophene
SYSTEMATIC NAME: 5-bromanyl-2,2,3,3-tetrakis(fluoranyl)-1-benzothiophene
MOLECULAR FORMULA: C8H3BrF4S
MOLECULAR WEIGHT: 287.072033
SMILES: C1=CC2=C(C=C1Br)C(C(S2)(F)F)(F)F
Structure:
CAS RN: 123675-82-1
CAS Name: 4-phenyl-1-cubanecarboxylic acid methyl ester
OPENEYE Name: methyl 4-phenylcubane-1-carboxylate
IUPAC Name: methyl 4-phenylcubane-1-carboxylate
SYSTEMATIC NAME: methyl 4-phenylcubane-1-carboxylate
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: COC(=O)C12C3C4C1C5C2C3C45C6=CC=CC=C6
Structure:
CAS RN: 135782-24-0
CAS Name: 2-morpholinecarbonitrile
OPENEYE Name: morpholine-2-carbonitrile
IUPAC Name: morpholine-2-carbonitrile
SYSTEMATIC NAME: morpholine-2-carbonitrile
MOLECULAR FORMULA: C5H8N2O
MOLECULAR WEIGHT: 112.12982
SMILES: C1COC(CN1)C#N
Structure:
CAS RN: 89850-72-6
CAS Name: 2-(4-amino-1-piperidinyl)ethanol
OPENEYE Name: 2-(4-amino-1-piperidyl)ethanol
IUPAC Name: 2-(4-aminopiperidin-1-yl)ethanol
SYSTEMATIC NAME: 2-(4-azanylpiperidin-1-yl)ethanol
MOLECULAR FORMULA: C7H16N2O
MOLECULAR WEIGHT: 144.21474
SMILES: C1CN(CCC1N)CCO
Structure:
CAS RN: 135782-19-3
CAS Name: 2-morpholinecarboxylic acid methyl ester
OPENEYE Name: methyl morpholine-2-carboxylate
IUPAC Name: methyl morpholine-2-carboxylate
SYSTEMATIC NAME: methyl morpholine-2-carboxylate
MOLECULAR FORMULA: C6H11NO3
MOLECULAR WEIGHT: 145.15644
SMILES: COC(=O)C1CNCCO1
Structure:
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