CAS RN: 572923-18-3
CAS Name: (4S)-3-(4-acetylphenyl)-4-ethyl-2-oxazolidinone
OPENEYE Name: (4S)-3-(4-acetylphenyl)-4-ethyl-oxazolidin-2-one
IUPAC Name: (4S)-3-(4-acetylphenyl)-4-ethyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4S)-3-(4-ethanoylphenyl)-4-ethyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: CC[C@H]1COC(=O)N1C2=CC=C(C=C2)C(=O)C
Structure:
CAS RN: 199296-51-0
CAS Name: 4-(aminomethyl)-2-pyridinamine
OPENEYE Name: 4-(aminomethyl)pyridin-2-amine
IUPAC Name: 4-(aminomethyl)pyridin-2-amine
SYSTEMATIC NAME: 4-(aminomethyl)pyridin-2-amine
MOLECULAR FORMULA: C6H9N3
MOLECULAR WEIGHT: 123.15576
SMILES: C1=CN=C(C=C1CN)N
Structure:
CAS RN: 540787-75-5
CAS Name: (3S)-1-(2-aminoethyl)-3-pyrrolidinol
OPENEYE Name: (3S)-1-(2-aminoethyl)pyrrolidin-3-ol
IUPAC Name: (3S)-1-(2-aminoethyl)pyrrolidin-3-ol
SYSTEMATIC NAME: (3S)-1-(2-azanylethyl)pyrrolidin-3-ol
MOLECULAR FORMULA: C6H14N2O
MOLECULAR WEIGHT: 130.18816
SMILES: C1CN(C[C@H]1O)CCN
Structure:
CAS RN: 872266-55-2
CAS Name: 5-hexyl-1H-pyrazol-3-amine
OPENEYE Name: 5-hexyl-1H-pyrazol-3-amine
IUPAC Name: 5-hexyl-1H-pyrazol-3-amine
SYSTEMATIC NAME: 5-hexyl-1H-pyrazol-3-amine
MOLECULAR FORMULA: C9H17N3
MOLECULAR WEIGHT: 167.25138
SMILES: CCCCCCC1=CC(=NN1)N
Structure:
CAS RN: 850197-72-7
CAS Name: 6-bromo-5-nitroisoquinoline
OPENEYE Name: 6-bromo-5-nitro-isoquinoline
IUPAC Name: 6-bromo-5-nitroisoquinoline
SYSTEMATIC NAME: 6-bromanyl-5-nitro-isoquinoline
MOLECULAR FORMULA: C9H5BrN2O2
MOLECULAR WEIGHT: 253.0522
SMILES: C1=CC(=C(C2=C1C=NC=C2)[N+](=O)[O-])Br
Structure:
CAS RN: 572923-14-9
CAS Name: (4S)-3-(3-acetylphenyl)-4-ethyl-2-oxazolidinone
OPENEYE Name: (4S)-3-(3-acetylphenyl)-4-ethyl-oxazolidin-2-one
IUPAC Name: (4S)-3-(3-acetylphenyl)-4-ethyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4S)-3-(3-ethanoylphenyl)-4-ethyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: CC[C@H]1COC(=O)N1C2=CC=CC(=C2)C(=O)C
Structure:
CAS RN: 945262-32-8
CAS Name: 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
OPENEYE Name: 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
IUPAC Name: 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SYSTEMATIC NAME: 3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
MOLECULAR FORMULA: C8H12N4
MOLECULAR WEIGHT: 164.20768
SMILES: C1CC1C2=NN=C3N2CCNC3
Structure:
CAS RN: 681249-57-0
CAS Name: 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
OPENEYE Name: 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
IUPAC Name: 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
SYSTEMATIC NAME: 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
MOLECULAR FORMULA: C6H7F3N4
MOLECULAR WEIGHT: 192.14179
SMILES: C1CN2C(=NC(=N2)C(F)(F)F)CN1
Structure:
CAS RN: 959236-59-0
CAS Name: 7-fluoro-2H-indazole-3-carboxylic acid
OPENEYE Name: 7-fluoro-2H-indazole-3-carboxylic acid
IUPAC Name: 7-fluoro-2H-indazole-3-carboxylic acid
SYSTEMATIC NAME: 7-fluoranyl-2H-indazole-3-carboxylic acid
MOLECULAR FORMULA: C8H5FN2O2
MOLECULAR WEIGHT: 180.135903
SMILES: C1=CC2=C(NN=C2C(=C1)F)C(=O)O
Structure:
CAS RN: 905274-04-6
CAS Name: 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
OPENEYE Name: 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
IUPAC Name: 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SYSTEMATIC NAME: 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
MOLECULAR FORMULA: C7H6F3N3
MOLECULAR WEIGHT: 189.13785
SMILES: C1C2=CN=C(N=C2CN1)C(F)(F)F
Structure:
CAS RN: 916792-19-3
CAS Name: 2-bromo-4-fluoro-6-methylbenzaldehyde
OPENEYE Name: 2-bromo-4-fluoro-6-methyl-benzaldehyde
IUPAC Name: 2-bromo-4-fluoro-6-methylbenzaldehyde
SYSTEMATIC NAME: 2-bromanyl-4-fluoranyl-6-methyl-benzaldehyde
MOLECULAR FORMULA: C8H6BrFO
MOLECULAR WEIGHT: 217.035043
SMILES: CC1=CC(=CC(=C1C=O)Br)F
Structure:
CAS RN: 916792-13-7
CAS Name: 4-bromo-2-fluoro-5-methylbenzonitrile
OPENEYE Name: 4-bromo-2-fluoro-5-methyl-benzonitrile
IUPAC Name: 4-bromo-2-fluoro-5-methylbenzonitrile
SYSTEMATIC NAME: 4-bromanyl-2-fluoranyl-5-methyl-benzenecarbonitrile
MOLECULAR FORMULA: C8H5BrFN
MOLECULAR WEIGHT: 214.034403
SMILES: CC1=C(C=C(C(=C1)C#N)F)Br
Structure:
CAS RN: 916792-11-5
CAS Name: 2-bromo-5-fluoro-4-methylbenzonitrile
OPENEYE Name: 2-bromo-5-fluoro-4-methyl-benzonitrile
IUPAC Name: 2-bromo-5-fluoro-4-methylbenzonitrile
SYSTEMATIC NAME: 2-bromanyl-5-fluoranyl-4-methyl-benzenecarbonitrile
MOLECULAR FORMULA: C8H5BrFN
MOLECULAR WEIGHT: 214.034403
SMILES: CC1=C(C=C(C(=C1)Br)C#N)F
Structure:
CAS RN: 18259-37-5
CAS Name: 3-(ethylamino)-1-phenyl-1-propanone
OPENEYE Name: 3-(ethylamino)-1-phenyl-propan-1-one
IUPAC Name: 3-(ethylamino)-1-phenylpropan-1-one
SYSTEMATIC NAME: 3-(ethylamino)-1-phenyl-propan-1-one
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CCNCCC(=O)C1=CC=CC=C1
Structure:
CAS RN: 916791-62-3
CAS Name: 3,5-dichloro-4-fluoropyridine
OPENEYE Name: 3,5-dichloro-4-fluoro-pyridine
IUPAC Name: 3,5-dichloro-4-fluoropyridine
SYSTEMATIC NAME: 3,5-bis(chloranyl)-4-fluoranyl-pyridine
MOLECULAR FORMULA: C5H2Cl2FN
MOLECULAR WEIGHT: 165.980483
SMILES: C1=C(C(=C(C=N1)Cl)F)Cl
Structure:
CAS RN: 465-21-4
CAS Name: 5-[(3S,5R,8R,9S,10S,13R,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
OPENEYE Name: 5-[(3S,5R,8R,9S,10S,13R,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
IUPAC Name: 5-[(3S,5R,8R,9S,10S,13R,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,5R,8R,9S,10S,13R,14R,17S)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H34O4
MOLECULAR WEIGHT: 386.52436
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]3(CC[C@H]4C5=COC(=O)C=C5)O)C)O
Structure:
CAS RN: 695187-29-2
CAS Name: 5-chloro-2,4-difluorobenzaldehyde
OPENEYE Name: 5-chloro-2,4-difluoro-benzaldehyde
IUPAC Name: 5-chloro-2,4-difluorobenzaldehyde
SYSTEMATIC NAME: 5-chloranyl-2,4-bis(fluoranyl)benzaldehyde
MOLECULAR FORMULA: C7H3ClF2O
MOLECULAR WEIGHT: 176.547926
SMILES: C1=C(C(=CC(=C1Cl)F)F)C=O
Structure:
CAS RN: 166530-78-5
CAS Name: (5-bromo-2-methoxyphenyl)methanamine
OPENEYE Name: (5-bromo-2-methoxy-phenyl)methanamine
IUPAC Name: (5-bromo-2-methoxyphenyl)methanamine
SYSTEMATIC NAME: (5-bromanyl-2-methoxy-phenyl)methanamine
MOLECULAR FORMULA: C8H10BrNO
MOLECULAR WEIGHT: 216.0751
SMILES: COC1=C(C=C(C=C1)Br)CN
Structure:
CAS RN: 71082-51-4
CAS Name: 7-(trifluoromethyl)-3-quinolinecarboxylic acid
OPENEYE Name: 7-(trifluoromethyl)quinoline-3-carboxylic acid
IUPAC Name: 7-(trifluoromethyl)quinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-(trifluoromethyl)quinoline-3-carboxylic acid
MOLECULAR FORMULA: C11H6F3NO2
MOLECULAR WEIGHT: 241.16605
SMILES: C1=CC(=CC2=NC=C(C=C21)C(=O)O)C(F)(F)F
Structure:
CAS RN: 799557-86-1
CAS Name: 5-bromo-2-(trifluoromethyl)pyrimidine
OPENEYE Name: 5-bromo-2-(trifluoromethyl)pyrimidine
IUPAC Name: 5-bromo-2-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 5-bromanyl-2-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C5H2BrF3N2
MOLECULAR WEIGHT: 226.98199
SMILES: C1=C(C=NC(=N1)C(F)(F)F)Br
Structure:
CAS RN: 1080028-76-7
CAS Name: N-(4-oxanyl)-4-oxanamine
OPENEYE Name: N-tetrahydropyran-4-yltetrahydropyran-4-amine
IUPAC Name: N-(oxan-4-yl)oxan-4-amine
SYSTEMATIC NAME: N-(oxan-4-yl)oxan-4-amine
MOLECULAR FORMULA: C10H19NO2
MOLECULAR WEIGHT: 185.26336
SMILES: C1COCCC1NC2CCOCC2
Structure:
CAS RN: 3690-46-8
CAS Name: 5-(3-pyridinyl)-1,3,4-oxadiazole-2-thiolate
OPENEYE Name: 5-(3-pyridyl)-1,3,4-oxadiazole-2-thiolate
IUPAC Name: 5-pyridin-3-yl-1,3,4-oxadiazole-2-thiolate
SYSTEMATIC NAME: 5-pyridin-3-yl-1,3,4-oxadiazole-2-thiolate
MOLECULAR FORMULA: C7H4N3OS-
MOLECULAR WEIGHT: 178.19116
SMILES: C1=CC(=CN=C1)C2=NN=C(O2)[S-]
Structure:
CAS RN: 27385-97-3
CAS Name: 5-(2-methylanilino)-1,3,4-thiadiazole-2-thiolate
OPENEYE Name: 5-(2-methylanilino)-1,3,4-thiadiazole-2-thiolate
IUPAC Name: 5-(2-methylanilino)-1,3,4-thiadiazole-2-thiolate
SYSTEMATIC NAME: 5-[(2-methylphenyl)amino]-1,3,4-thiadiazole-2-thiolate
MOLECULAR FORMULA: C9H8N3S2-
MOLECULAR WEIGHT: 222.30992
SMILES: CC1=CC=CC=C1NC2=NN=C(S2)[S-]
Structure:
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