CAS RN: 479353-63-4
CAS Name: 4-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]methyl]benzoic acid
OPENEYE Name: 4-[(4-tert-butoxycarbonylpiperazin-1-yl)methyl]benzoic acid
IUPAC Name: 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
MOLECULAR FORMULA: C17H24N2O4
MOLECULAR WEIGHT: 320.38346
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 470478-90-1
CAS Name: 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C21H33BN2O4
MOLECULAR WEIGHT: 388.30872
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C
Structure:
CAS RN: 197638-83-8
CAS Name: 4-(4-formylphenyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(4-formylphenyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(4-formylphenyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(4-methanoylphenyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C=O
Structure:
CAS RN: 162046-66-4
CAS Name: 4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]benzoic acid
OPENEYE Name: 4-(4-tert-butoxycarbonylpiperazin-1-yl)benzoic acid
IUPAC Name: 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
SYSTEMATIC NAME: 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
MOLECULAR FORMULA: C16H22N2O4
MOLECULAR WEIGHT: 306.35688
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 101691-94-5
CAS Name: 4-(iodomethyl)oxane
OPENEYE Name: 4-(iodomethyl)tetrahydropyran
IUPAC Name: 4-(iodomethyl)oxane
SYSTEMATIC NAME: 4-(iodanylmethyl)oxane
MOLECULAR FORMULA: C6H11IO
MOLECULAR WEIGHT: 226.05541
SMILES: C1COCCC1CI
Structure:
CAS RN: 25637-18-7
CAS Name: 4-iodooxane
OPENEYE Name: 4-iodotetrahydropyran
IUPAC Name: 4-iodooxane
SYSTEMATIC NAME: 4-iodanyloxane
MOLECULAR FORMULA: C5H9IO
MOLECULAR WEIGHT: 212.02883
SMILES: C1COCCC1I
Structure:
CAS RN: 40191-32-0
CAS Name: 4-oxanecarbonyl chloride
OPENEYE Name: tetrahydropyran-4-carbonyl chloride
IUPAC Name: oxane-4-carbonyl chloride
SYSTEMATIC NAME: oxane-4-carbonyl chloride
MOLECULAR FORMULA: C6H9ClO2
MOLECULAR WEIGHT: 148.58746
SMILES: C1COCCC1C(=O)Cl
Structure:
CAS RN: 86267-86-9
CAS Name: 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
OPENEYE Name: 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
IUPAC Name: 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
SYSTEMATIC NAME: 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: C1C(OC2=CC=CC=C2N1)C#N
Structure:
CAS RN: 299159-27-6
CAS Name: 4-[(4-iodophenyl)methyl]morpholine
OPENEYE Name: 4-[(4-iodophenyl)methyl]morpholine
IUPAC Name: 4-[(4-iodophenyl)methyl]morpholine
SYSTEMATIC NAME: 4-[(4-iodophenyl)methyl]morpholine
MOLECULAR FORMULA: C11H14INO
MOLECULAR WEIGHT: 303.13943
SMILES: C1COCCN1CC2=CC=C(C=C2)I
Structure:
CAS RN: 830330-33-1
CAS Name: 4-methyl-2-phenyl-5-thiazolecarbonitrile
OPENEYE Name: 4-methyl-2-phenyl-thiazole-5-carbonitrile
IUPAC Name: 4-methyl-2-phenyl-1,3-thiazole-5-carbonitrile
SYSTEMATIC NAME: 4-methyl-2-phenyl-1,3-thiazole-5-carbonitrile
MOLECULAR FORMULA: C11H8N2S
MOLECULAR WEIGHT: 200.25962
SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)C#N
Structure:
CAS RN: 79757-77-0
CAS Name: (4-bromo-2-thiophenyl)methanol
OPENEYE Name: (4-bromo-2-thienyl)methanol
IUPAC Name: (4-bromothiophen-2-yl)methanol
SYSTEMATIC NAME: (4-bromanylthiophen-2-yl)methanol
MOLECULAR FORMULA: C5H5BrOS
MOLECULAR WEIGHT: 193.0616
SMILES: C1=C(SC=C1Br)CO
Structure:
CAS RN: 72782-76-4
CAS Name: 2-(2,4-dichlorophenoxy)aniline hydrochloride
OPENEYE Name: 2-(2,4-dichlorophenoxy)aniline hydrochloride
IUPAC Name: 2-(2,4-dichlorophenoxy)aniline hydrochloride
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]aniline hydrochloride
MOLECULAR FORMULA: C12H10Cl3NO
MOLECULAR WEIGHT: 290.5729
SMILES: C1=CC=C(C(=C1)N)OC2=C(C=C(C=C2)Cl)Cl.Cl
Structure:
CAS RN: 23000-14-8
CAS Name: 2,5-dimethyl-4-oxazolecarboxylic acid
OPENEYE Name: 2,5-dimethyloxazole-4-carboxylic acid
IUPAC Name: 2,5-dimethyl-1,3-oxazole-4-carboxylic acid
SYSTEMATIC NAME: 2,5-dimethyl-1,3-oxazole-4-carboxylic acid
MOLECULAR FORMULA: C6H7NO3
MOLECULAR WEIGHT: 141.12468
SMILES: CC1=C(N=C(O1)C)C(=O)O
Structure:
CAS RN: 16205-44-0
CAS Name: 3-pyrazolo[1,5-a]pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
IUPAC Name: ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: CCOC(=O)C1=C2C=CC=CN2N=C1
Structure:
CAS RN: 52768-17-9
CAS Name: 4-(1-pyrrolyl)aniline
OPENEYE Name: 4-pyrrol-1-ylaniline
IUPAC Name: 4-pyrrol-1-ylaniline
SYSTEMATIC NAME: 4-pyrrol-1-ylaniline
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: C1=CN(C=C1)C2=CC=C(C=C2)N
Structure:
CAS RN: 2060-63-1
CAS Name: 1-benzothiophene-5-carbonitrile
OPENEYE Name: benzothiophene-5-carbonitrile
IUPAC Name: 1-benzothiophene-5-carbonitrile
SYSTEMATIC NAME: 1-benzothiophene-5-carbonitrile
MOLECULAR FORMULA: C9H5NS
MOLECULAR WEIGHT: 159.2077
SMILES: C1=CC2=C(C=CS2)C=C1C#N
Structure:
CAS RN: 87488-84-4
CAS Name: 1-(2-bromophenyl)pyrazole
OPENEYE Name: 1-(2-bromophenyl)pyrazole
IUPAC Name: 1-(2-bromophenyl)pyrazole
SYSTEMATIC NAME: 1-(2-bromophenyl)pyrazole
MOLECULAR FORMULA: C9H7BrN2
MOLECULAR WEIGHT: 223.06928
SMILES: C1=CC=C(C(=C1)N2C=CC=N2)Br
Structure:
CAS RN: 66158-96-1
CAS Name: 2,3-dihydrobenzofuran-2-ylmethanol
OPENEYE Name: 2,3-dihydrobenzofuran-2-ylmethanol
IUPAC Name: 2,3-dihydro-1-benzofuran-2-ylmethanol
SYSTEMATIC NAME: 2,3-dihydro-1-benzofuran-2-ylmethanol
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: C1C(OC2=CC=CC=C21)CO
Structure:
CAS RN: 499770-76-2
CAS Name: 5-(bromomethyl)-1-methylbenzotriazole
OPENEYE Name: 5-(bromomethyl)-1-methyl-benzotriazole
IUPAC Name: 5-(bromomethyl)-1-methylbenzotriazole
SYSTEMATIC NAME: 5-(bromomethyl)-1-methyl-benzotriazole
MOLECULAR FORMULA: C8H8BrN3
MOLECULAR WEIGHT: 226.07322
SMILES: CN1C2=C(C=C(C=C2)CBr)N=N1
Structure:
CAS RN: 499770-67-1
CAS Name: 1-methyl-5-benzotriazolecarboxaldehyde
OPENEYE Name: 1-methylbenzotriazole-5-carbaldehyde
IUPAC Name: 1-methylbenzotriazole-5-carbaldehyde
SYSTEMATIC NAME: 1-methylbenzotriazole-5-carbaldehyde
MOLECULAR FORMULA: C8H7N3O
MOLECULAR WEIGHT: 161.16068
SMILES: CN1C2=C(C=C(C=C2)C=O)N=N1
Structure:
CAS RN: 6068-90-2
CAS Name: isothiocyanatomethylcyclopropane
OPENEYE Name: isothiocyanatomethylcyclopropane
IUPAC Name: isothiocyanatomethylcyclopropane
SYSTEMATIC NAME: isothiocyanatomethylcyclopropane
MOLECULAR FORMULA: C5H7NS
MOLECULAR WEIGHT: 113.18078
SMILES: C1CC1CN=C=S
Structure:
CAS RN: 41536-44-1
CAS Name: 2-(4-morpholinyl)phenol
OPENEYE Name: 2-morpholinophenol
IUPAC Name: 2-morpholin-4-ylphenol
SYSTEMATIC NAME: 2-morpholin-4-ylphenol
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: C1COCCN1C2=CC=CC=C2O
Structure:
CAS RN: 5121-00-6
CAS Name: 2-(1-naphthalenyl)acetyl chloride
OPENEYE Name: 2-(1-naphthyl)acetyl chloride
IUPAC Name: 2-naphthalen-1-ylacetyl chloride
SYSTEMATIC NAME: 2-naphthalen-1-ylethanoyl chloride
MOLECULAR FORMULA: C12H9ClO
MOLECULAR WEIGHT: 204.65226
SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)Cl
Structure:
CAS RN: 73057-58-6
CAS Name: 2-[[(phenylmethyl)amino]methyl]phenol hydrochloride
OPENEYE Name: 2-[(benzylamino)methyl]phenol hydrochloride
IUPAC Name: 2-[(benzylamino)methyl]phenol hydrochloride
SYSTEMATIC NAME: 2-[[(phenylmethyl)amino]methyl]phenol hydrochloride
MOLECULAR FORMULA: C14H16ClNO
MOLECULAR WEIGHT: 249.73594
SMILES: C1=CC=C(C=C1)CNCC2=CC=CC=C2O.Cl
Structure:
CAS RN: 81542-16-7
CAS Name: isothiocyanatocycloheptane
OPENEYE Name: isothiocyanatocycloheptane
IUPAC Name: isothiocyanatocycloheptane
SYSTEMATIC NAME: isothiocyanatocycloheptane
MOLECULAR FORMULA: C8H13NS
MOLECULAR WEIGHT: 155.26052
SMILES: C1CCCC(CC1)N=C=S
Structure:
CAS RN: 827-01-0
CAS Name: 5-chloro-1H-indole-3-carboxaldehyde
OPENEYE Name: 5-chloro-1H-indole-3-carbaldehyde
IUPAC Name: 5-chloro-1H-indole-3-carbaldehyde
SYSTEMATIC NAME: 5-chloranyl-1H-indole-3-carbaldehyde
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC2=C(C=C1Cl)C(=CN2)C=O
Structure:
CAS RN: 4430-47-1
CAS Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole
OPENEYE Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole
IUPAC Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole
SYSTEMATIC NAME: 5-(isothiocyanatomethyl)-1,3-benzodioxole
MOLECULAR FORMULA: C9H7NO2S
MOLECULAR WEIGHT: 193.22238
SMILES: C1OC2=C(O1)C=C(C=C2)CN=C=S
Structure:
CAS RN: 36121-48-9
CAS Name: (1,3-dioxo-2-isoindolyl)methyl-trimethylammonium iodide
OPENEYE Name: (1,3-dioxoisoindolin-2-yl)methyl-trimethyl-ammonium iodide
IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl-trimethylazanium iodide
SYSTEMATIC NAME: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C12H15IN2O2
MOLECULAR WEIGHT: 346.16417
SMILES: C[N+](C)(C)CN1C(=O)C2=CC=CC=C2C1=O.[I-]
Structure:
CAS RN: 55704-21-7
CAS Name: 1-(2-mercaptophenyl)-3-phenylthiourea
OPENEYE Name: 1-phenyl-3-(2-sulfanylphenyl)thiourea
IUPAC Name: 1-phenyl-3-(2-sulfanylphenyl)thiourea
SYSTEMATIC NAME: 1-phenyl-3-(2-sulfanylphenyl)thiourea
MOLECULAR FORMULA: C13H12N2S2
MOLECULAR WEIGHT: 260.37778
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2S
Structure:
CAS RN: 485799-04-0
CAS Name: 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholine
OPENEYE Name: 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]morpholine
IUPAC Name: 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
SYSTEMATIC NAME: 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
MOLECULAR FORMULA: C15H23BN2O3
MOLECULAR WEIGHT: 290.16572
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCOCC3
Structure:
CAS RN: 470463-42-4
CAS Name: 4-(5-iodo-2-pyridinyl)morpholine
OPENEYE Name: 4-(5-iodo-2-pyridyl)morpholine
IUPAC Name: 4-(5-iodopyridin-2-yl)morpholine
SYSTEMATIC NAME: 4-(5-iodanylpyridin-2-yl)morpholine
MOLECULAR FORMULA: C9H11IN2O
MOLECULAR WEIGHT: 290.10091
SMILES: C1COCCN1C2=NC=C(C=C2)I
Structure:
CAS RN: 568577-88-8
CAS Name: 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
OPENEYE Name: 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
IUPAC Name: 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
SYSTEMATIC NAME: 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
MOLECULAR FORMULA: C16H24BNO3
MOLECULAR WEIGHT: 289.17766
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCOCC3
Structure:
CAS RN: 186498-02-2
CAS Name: [4-(4-morpholinyl)phenyl]boronic acid
OPENEYE Name: (4-morpholinophenyl)boronic acid
IUPAC Name: (4-morpholin-4-ylphenyl)boronic acid
SYSTEMATIC NAME: (4-morpholin-4-ylphenyl)boronic acid
MOLECULAR FORMULA: C10H14BNO3
MOLECULAR WEIGHT: 207.03406
SMILES: B(C1=CC=C(C=C1)N2CCOCC2)(O)O
Structure:
CAS RN: 87350-77-4
CAS Name: 4-(4-iodophenyl)morpholine
OPENEYE Name: 4-(4-iodophenyl)morpholine
IUPAC Name: 4-(4-iodophenyl)morpholine
SYSTEMATIC NAME: 4-(4-iodophenyl)morpholine
MOLECULAR FORMULA: C10H12INO
MOLECULAR WEIGHT: 289.11285
SMILES: C1COCCN1C2=CC=C(C=C2)I
Structure:
CAS RN: 210832-85-2
CAS Name: 2-bromo-1-[4-(4-morpholinyl)phenyl]ethanone
OPENEYE Name: 2-bromo-1-(4-morpholinophenyl)ethanone
IUPAC Name: 2-bromo-1-(4-morpholin-4-ylphenyl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(4-morpholin-4-ylphenyl)ethanone
MOLECULAR FORMULA: C12H14BrNO2
MOLECULAR WEIGHT: 284.14906
SMILES: C1COCCN1C2=CC=C(C=C2)C(=O)CBr
Structure:
CAS RN: 551930-53-1
CAS Name: 5-(5-isoxazolyl)-2-thiophenesulfonyl chloride
OPENEYE Name: 5-isoxazol-5-ylthiophene-2-sulfonyl chloride
IUPAC Name: 5-(1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
SYSTEMATIC NAME: 5-(1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
MOLECULAR FORMULA: C7H4ClNO3S2
MOLECULAR WEIGHT: 249.69456
SMILES: C1=C(SC(=C1)S(=O)(=O)Cl)C2=CC=NO2
Structure:
CAS RN: 844891-04-9
CAS Name: 1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
OPENEYE Name: 1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
IUPAC Name: 1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SYSTEMATIC NAME: 1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
MOLECULAR FORMULA: C12H21BN2O2
MOLECULAR WEIGHT: 236.11834
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2C)C)C
Structure:
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