Saturday, August 27, 2011

http://ChemLookup.com Compounds




CAS RN: 915921-64-1
CAS Name: 3-[(3,3-dimethyl-1-oxobutyl)amino]-4-methylbenzoic acid
OPENEYE Name: 3-(3,3-dimethylbutanoylamino)-4-methyl-benzoic acid
IUPAC Name: 3-(3,3-dimethylbutanoylamino)-4-methylbenzoic acid
SYSTEMATIC NAME: 3-(3,3-dimethylbutanoylamino)-4-methyl-benzoic acid
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=O)CC(C)(C)C
Structure:

CAS RN: 895664-33-2
CAS Name: 3-chloro-N-(4-fluoro-2-methylphenyl)propanamide
OPENEYE Name: 3-chloro-N-(4-fluoro-2-methyl-phenyl)propanamide
IUPAC Name: 3-chloro-N-(4-fluoro-2-methylphenyl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(4-fluoranyl-2-methyl-phenyl)propanamide
MOLECULAR FORMULA: C10H11ClFNO
MOLECULAR WEIGHT: 215.651843
SMILES: CC1=C(C=CC(=C1)F)NC(=O)CCCl
Structure:

CAS RN: 749240-57-1
CAS Name: 5-fluoro-7-methyl-1H-indole-2,3-dione
OPENEYE Name: 5-fluoro-7-methyl-indoline-2,3-dione
IUPAC Name: 5-fluoro-7-methyl-1H-indole-2,3-dione
SYSTEMATIC NAME: 5-fluoranyl-7-methyl-1H-indole-2,3-dione
MOLECULAR FORMULA: C9H6FNO2
MOLECULAR WEIGHT: 179.147843
SMILES: CC1=C2C(=CC(=C1)F)C(=O)C(=O)N2
Structure:

CAS RN: 908494-81-5
CAS Name: 3-chloro-N-(3-fluoro-4-methylphenyl)propanamide
OPENEYE Name: 3-chloro-N-(3-fluoro-4-methyl-phenyl)propanamide
IUPAC Name: 3-chloro-N-(3-fluoro-4-methylphenyl)propanamide
SYSTEMATIC NAME: 3-chloranyl-N-(3-fluoranyl-4-methyl-phenyl)propanamide
MOLECULAR FORMULA: C10H11ClFNO
MOLECULAR WEIGHT: 215.651843
SMILES: CC1=C(C=C(C=C1)NC(=O)CCCl)F
Structure:

CAS RN: 245070-83-1
CAS Name: 1-cyclopentyl-1,4-diazepane
OPENEYE Name: 1-cyclopentyl-1,4-diazepane
IUPAC Name: 1-cyclopentyl-1,4-diazepane
SYSTEMATIC NAME: 1-cyclopentyl-1,4-diazepane
MOLECULAR FORMULA: C10H20N2
MOLECULAR WEIGHT: 168.2792
SMILES: C1CCC(C1)N2CCCNCC2
Structure:

CAS RN: 476342-37-7
CAS Name: 1-(5-amino-2-pyridinyl)-4-piperidinol
OPENEYE Name: 1-(5-amino-2-pyridyl)piperidin-4-ol
IUPAC Name: 1-(5-aminopyridin-2-yl)piperidin-4-ol
SYSTEMATIC NAME: 1-(5-azanylpyridin-2-yl)piperidin-4-ol
MOLECULAR FORMULA: C10H15N3O
MOLECULAR WEIGHT: 193.2456
SMILES: C1CN(CCC1O)C2=NC=C(C=C2)N
Structure:

CAS RN: 953749-60-5
CAS Name: N,N-dimethyl-1-(5-methyl-2-furanyl)ethane-1,2-diamine
OPENEYE Name: N,N-dimethyl-1-(5-methyl-2-furyl)ethane-1,2-diamine
IUPAC Name: N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
SYSTEMATIC NAME: N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
MOLECULAR FORMULA: C9H16N2O
MOLECULAR WEIGHT: 168.23614
SMILES: CC1=CC=C(O1)C(CN)N(C)C
Structure:

CAS RN: 524955-09-7
CAS Name: 3-chloro-4-(2-pyridinylmethoxy)aniline
OPENEYE Name: 3-chloro-4-(2-pyridylmethoxy)aniline
IUPAC Name: 3-chloro-4-(pyridin-2-ylmethoxy)aniline
SYSTEMATIC NAME: 3-chloranyl-4-(pyridin-2-ylmethoxy)aniline
MOLECULAR FORMULA: C12H11ClN2O
MOLECULAR WEIGHT: 234.68154
SMILES: C1=CC=NC(=C1)COC2=C(C=C(C=C2)N)Cl
Structure:

CAS RN: 573675-55-5
CAS Name: 7-bromo-4-chloroquinazoline
OPENEYE Name: 7-bromo-4-chloro-quinazoline
IUPAC Name: 7-bromo-4-chloroquinazoline
SYSTEMATIC NAME: 7-bromanyl-4-chloranyl-quinazoline
MOLECULAR FORMULA: C8H4BrClN2
MOLECULAR WEIGHT: 243.48776
SMILES: C1=CC2=C(C=C1Br)N=CN=C2Cl
Structure:

CAS RN: 4608-79-1
CAS Name: 1-(3-aminopropyl)-4-piperidinecarboxamide
OPENEYE Name: 1-(3-aminopropyl)piperidine-4-carboxamide
IUPAC Name: 1-(3-aminopropyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(3-azanylpropyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C9H19N3O
MOLECULAR WEIGHT: 185.26666
SMILES: C1CN(CCC1C(=O)N)CCCN
Structure:

CAS RN: 889958-03-6
CAS Name: 2-[oxo-(3-oxo-1-piperazinyl)methyl]benzoic acid
OPENEYE Name: 2-(3-oxopiperazine-1-carbonyl)benzoic acid
IUPAC Name: 2-(3-oxopiperazine-1-carbonyl)benzoic acid
SYSTEMATIC NAME: 2-(3-oxidanylidenepiperazin-1-yl)carbonylbenzoic acid
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: C1CN(CC(=O)N1)C(=O)C2=CC=CC=C2C(=O)O
Structure:

CAS RN: 42191-48-0
CAS Name: 2-(3,4-dimethoxyphenyl)-N'-hydroxyethanimidamide
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-N'-hydroxy-acetamidine
IUPAC Name: 2-(3,4-dimethoxyphenyl)-N'-hydroxyethanimidamide
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-N'-oxidanyl-ethanimidamide
MOLECULAR FORMULA: C10H14N2O3
MOLECULAR WEIGHT: 210.22976
SMILES: COC1=C(C=C(C=C1)C/C(=N/O)/N)OC
Structure:

CAS RN: 51421-16-0
CAS Name: (3-fluorophenyl)methylhydrazine
OPENEYE Name: (3-fluorophenyl)methylhydrazine
IUPAC Name: (3-fluorophenyl)methylhydrazine
SYSTEMATIC NAME: (3-fluorophenyl)methyldiazane
MOLECULAR FORMULA: C7H9FN2
MOLECULAR WEIGHT: 140.158163
SMILES: C1=CC(=CC(=C1)F)CNN
Structure:

CAS RN: 89599-94-0
CAS Name: 2-(diethylamino)-N'-hydroxyethanimidamide
OPENEYE Name: 2-(diethylamino)-N'-hydroxy-acetamidine
IUPAC Name: 2-(diethylamino)-N'-hydroxyethanimidamide
SYSTEMATIC NAME: 2-(diethylamino)-N'-oxidanyl-ethanimidamide
MOLECULAR FORMULA: C6H15N3O
MOLECULAR WEIGHT: 145.2028
SMILES: CCN(CC)C/C(=N/O)/N
Structure:

CAS RN: 51859-95-1
CAS Name: (3-bromophenyl)methylhydrazine
OPENEYE Name: (3-bromophenyl)methylhydrazine
IUPAC Name: (3-bromophenyl)methylhydrazine
SYSTEMATIC NAME: (3-bromophenyl)methyldiazane
MOLECULAR FORMULA: C7H9BrN2
MOLECULAR WEIGHT: 201.06376
SMILES: C1=CC(=CC(=C1)Br)CNN
Structure:

CAS RN: 98138-26-2
CAS Name: 3-(dimethylamino)-N'-hydroxypropanimidamide
OPENEYE Name: 3-(dimethylamino)-N'-hydroxy-propanamidine
IUPAC Name: 3-(dimethylamino)-N'-hydroxypropanimidamide
SYSTEMATIC NAME: 3-(dimethylamino)-N'-oxidanyl-propanimidamide
MOLECULAR FORMULA: C5H13N3O
MOLECULAR WEIGHT: 131.17622
SMILES: CN(C)CC/C(=N/O)/N
Structure:

CAS RN: 100524-07-0
CAS Name: 3-amino-N'-hydroxybenzenecarboximidamide
OPENEYE Name: 3-amino-N'-hydroxy-benzamidine
IUPAC Name: 3-amino-N'-hydroxybenzenecarboximidamide
SYSTEMATIC NAME: 3-azanyl-N'-oxidanyl-benzenecarboximidamide
MOLECULAR FORMULA: C7H9N3O
MOLECULAR WEIGHT: 151.16586
SMILES: C1=CC(=CC(=C1)N)/C(=N/O)/N
Structure:

CAS RN: 864350-82-3
CAS Name: 2-(1,4-diazepan-1-yl)-N,N-dimethylethanamine
OPENEYE Name: 2-(1,4-diazepan-1-yl)-N,N-dimethyl-ethanamine
IUPAC Name: 2-(1,4-diazepan-1-yl)-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-(1,4-diazepan-1-yl)-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C9H21N3
MOLECULAR WEIGHT: 171.28314
SMILES: CN(C)CCN1CCCNCC1
Structure:

CAS RN: 915923-60-3
CAS Name: 4-methyl-3-[(3-methyl-1-oxobutyl)amino]benzoic acid
OPENEYE Name: 4-methyl-3-(3-methylbutanoylamino)benzoic acid
IUPAC Name: 4-methyl-3-(3-methylbutanoylamino)benzoic acid
SYSTEMATIC NAME: 4-methyl-3-(3-methylbutanoylamino)benzoic acid
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=O)CC(C)C
Structure:

CAS RN: 45811-94-7
CAS Name: (4-bromophenyl)methylhydrazine
OPENEYE Name: (4-bromophenyl)methylhydrazine
IUPAC Name: (4-bromophenyl)methylhydrazine
SYSTEMATIC NAME: (4-bromophenyl)methyldiazane
MOLECULAR FORMULA: C7H9BrN2
MOLECULAR WEIGHT: 201.06376
SMILES: C1=CC(=CC=C1CNN)Br
Structure:

CAS RN: 915923-66-9
CAS Name: 3-[[cyclopropyl(oxo)methyl]amino]-4-methylbenzoic acid
OPENEYE Name: 3-(cyclopropanecarbonylamino)-4-methyl-benzoic acid
IUPAC Name: 3-(cyclopropanecarbonylamino)-4-methylbenzoic acid
SYSTEMATIC NAME: 3-(cyclopropylcarbonylamino)-4-methyl-benzoic acid
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CC2
Structure:

CAS RN: 915921-46-9
CAS Name: 4-methyl-3-[(2-methyl-1-oxopropyl)amino]benzoic acid
OPENEYE Name: 4-methyl-3-(2-methylpropanoylamino)benzoic acid
IUPAC Name: 4-methyl-3-(2-methylpropanoylamino)benzoic acid
SYSTEMATIC NAME: 4-methyl-3-(2-methylpropanoylamino)benzoic acid
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)C
Structure:

CAS RN: 915921-04-9
CAS Name: 3-[[cyclobutyl(oxo)methyl]amino]-4-methylbenzoic acid
OPENEYE Name: 3-(cyclobutanecarbonylamino)-4-methyl-benzoic acid
IUPAC Name: 3-(cyclobutanecarbonylamino)-4-methylbenzoic acid
SYSTEMATIC NAME: 3-(cyclobutylcarbonylamino)-4-methyl-benzoic acid
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CCC2
Structure:

CAS RN: 870997-57-2
CAS Name: 2-amino-N,3-dimethylbenzamide
OPENEYE Name: 2-amino-N,3-dimethyl-benzamide
IUPAC Name: 2-amino-N,3-dimethylbenzamide
SYSTEMATIC NAME: 2-azanyl-N,3-dimethyl-benzamide
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CC1=CC=CC(=C1N)C(=O)NC
Structure:

CAS RN: 926193-28-4
CAS Name: cyclobutyl(1,4-diazepan-1-yl)methanone
OPENEYE Name: cyclobutyl(1,4-diazepan-1-yl)methanone
IUPAC Name: cyclobutyl(1,4-diazepan-1-yl)methanone
SYSTEMATIC NAME: cyclobutyl(1,4-diazepan-1-yl)methanone
MOLECULAR FORMULA: C10H18N2O
MOLECULAR WEIGHT: 182.26272
SMILES: C1CC(C1)C(=O)N2CCCNCC2
Structure:

CAS RN: 38267-96-8
CAS Name: 6-bromo-4-chloroquinazoline
OPENEYE Name: 6-bromo-4-chloro-quinazoline
IUPAC Name: 6-bromo-4-chloroquinazoline
SYSTEMATIC NAME: 6-bromanyl-4-chloranyl-quinazoline
MOLECULAR FORMULA: C8H4BrClN2
MOLECULAR WEIGHT: 243.48776
SMILES: C1=CC2=C(C=C1Br)C(=NC=N2)Cl
Structure:

CAS RN: 915921-84-5
CAS Name: 3-[[cyclopentyl(oxo)methyl]amino]benzoic acid
OPENEYE Name: 3-(cyclopentanecarbonylamino)benzoic acid
IUPAC Name: 3-(cyclopentanecarbonylamino)benzoic acid
SYSTEMATIC NAME: 3-(cyclopentylcarbonylamino)benzoic acid
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: C1CCC(C1)C(=O)NC2=CC=CC(=C2)C(=O)O
Structure:

CAS RN: 926189-86-8
CAS Name: N-[2-(diethylamino)-2-oxoethyl]-N-methylsulfamoyl chloride
OPENEYE Name: N-[2-(diethylamino)-2-oxo-ethyl]-N-methyl-sulfamoyl chloride
IUPAC Name: N-[2-(diethylamino)-2-oxoethyl]-N-methylsulfamoyl chloride
SYSTEMATIC NAME: N-[2-(diethylamino)-2-oxidanylidene-ethyl]-N-methyl-sulfamoyl chloride
MOLECULAR FORMULA: C7H15ClN2O3S
MOLECULAR WEIGHT: 242.7236
SMILES: CCN(CC)C(=O)CN(C)S(=O)(=O)Cl
Structure:

CAS RN: 209971-18-6
CAS Name: N-(2-cyanoethyl)-N-methylsulfamoyl chloride
OPENEYE Name: N-(2-cyanoethyl)-N-methyl-sulfamoyl chloride
IUPAC Name: N-(2-cyanoethyl)-N-methylsulfamoyl chloride
SYSTEMATIC NAME: N-(2-cyanoethyl)-N-methyl-sulfamoyl chloride
MOLECULAR FORMULA: C4H7ClN2O2S
MOLECULAR WEIGHT: 182.62858
SMILES: CN(CCC#N)S(=O)(=O)Cl
Structure:

CAS RN: 124276-95-5
CAS Name: 1-(3-bromophenyl)-1-cyclopropanecarboxylic acid
OPENEYE Name: 1-(3-bromophenyl)cyclopropanecarboxylic acid
IUPAC Name: 1-(3-bromophenyl)cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 1-(3-bromophenyl)cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C10H9BrO2
MOLECULAR WEIGHT: 241.08126
SMILES: C1CC1(C2=CC(=CC=C2)Br)C(=O)O
Structure:

CAS RN: 67691-60-5
CAS Name: 1-[oxo(pyridin-4-yl)methyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
IUPAC Name: 1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-pyridin-4-ylcarbonylpiperidine-4-carboxylic acid
MOLECULAR FORMULA: C12H14N2O3
MOLECULAR WEIGHT: 234.25116
SMILES: C1CN(CCC1C(=O)O)C(=O)C2=CC=NC=C2
Structure:

CAS RN: 67691-62-7
CAS Name: 1-[oxo(2-pyridinyl)methyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-(pyridine-2-carbonyl)piperidine-4-carboxylic acid
IUPAC Name: 1-(pyridine-2-carbonyl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-pyridin-2-ylcarbonylpiperidine-4-carboxylic acid
MOLECULAR FORMULA: C12H14N2O3
MOLECULAR WEIGHT: 234.25116
SMILES: C1CN(CCC1C(=O)O)C(=O)C2=CC=CC=N2
Structure:

CAS RN: 926238-85-9
CAS Name: 1-(3-methyl-1-oxobutyl)-4-piperidinecarboxylic acid
OPENEYE Name: 1-(3-methylbutanoyl)piperidine-4-carboxylic acid
IUPAC Name: 1-(3-methylbutanoyl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-(3-methylbutanoyl)piperidine-4-carboxylic acid
MOLECULAR FORMULA: C11H19NO3
MOLECULAR WEIGHT: 213.27346
SMILES: CC(C)CC(=O)N1CCC(CC1)C(=O)O
Structure:

CAS RN: 77691-34-0
CAS Name: 4-chloro-2-(hydroxymethyl)-6-nitrophenol
OPENEYE Name: 4-chloro-2-(hydroxymethyl)-6-nitro-phenol
IUPAC Name: 4-chloro-2-(hydroxymethyl)-6-nitrophenol
SYSTEMATIC NAME: 4-chloranyl-2-(hydroxymethyl)-6-nitro-phenol
MOLECULAR FORMULA: C7H6ClNO4
MOLECULAR WEIGHT: 203.57984
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)CO)Cl
Structure:

CAS RN: 174609-74-6
CAS Name: 2-(1-piperazinylmethyl)benzonitrile
OPENEYE Name: 2-(piperazin-1-ylmethyl)benzonitrile
IUPAC Name: 2-(piperazin-1-ylmethyl)benzonitrile
SYSTEMATIC NAME: 2-(piperazin-1-ylmethyl)benzenecarbonitrile
MOLECULAR FORMULA: C12H15N3
MOLECULAR WEIGHT: 201.2676
SMILES: C1CN(CCN1)CC2=CC=CC=C2C#N
Structure:

CAS RN: 926226-12-2
CAS Name: 2-(3-fluorophenyl)-1-(1-piperazinyl)ethanone
OPENEYE Name: 2-(3-fluorophenyl)-1-piperazin-1-yl-ethanone
IUPAC Name: 2-(3-fluorophenyl)-1-piperazin-1-ylethanone
SYSTEMATIC NAME: 2-(3-fluorophenyl)-1-piperazin-1-yl-ethanone
MOLECULAR FORMULA: C12H15FN2O
MOLECULAR WEIGHT: 222.258703
SMILES: C1CN(CCN1)C(=O)CC2=CC(=CC=C2)F
Structure:

CAS RN: 765945-04-8
CAS Name: 1-(2,3-dihydrobenzofuran-5-yl)ethanamine
OPENEYE Name: 1-(2,3-dihydrobenzofuran-5-yl)ethanamine
IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
SYSTEMATIC NAME: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC(C1=CC2=C(C=C1)OCC2)N
Structure:

CAS RN: 683772-11-4
CAS Name: 4-(1-pyrrolidinylmethyl)piperidine
OPENEYE Name: 4-(pyrrolidin-1-ylmethyl)piperidine
IUPAC Name: 4-(pyrrolidin-1-ylmethyl)piperidine
SYSTEMATIC NAME: 4-(pyrrolidin-1-ylmethyl)piperidine
MOLECULAR FORMULA: C10H20N2
MOLECULAR WEIGHT: 168.2792
SMILES: C1CCN(C1)CC2CCNCC2
Structure:

No comments:

Post a Comment