CAS RN: 108607-97-2
CAS Name: 1-fluoranyl-3-iodopropane
OPENEYE Name: 1-fluoranyl-3-iodo-propane
IUPAC Name: 1-fluoranyl-3-iodopropane
SYSTEMATIC NAME: 1-fluoranyl-3-iodanyl-propane
MOLECULAR FORMULA: C3H6FI
MOLECULAR WEIGHT: 186.985148
SMILES: C(C[18F])CI
Structure:
CAS RN: 108351-04-8
CAS Name: 3-nitro-1-propanamine
OPENEYE Name: 3-nitropropan-1-amine
IUPAC Name: 3-nitropropan-1-amine
SYSTEMATIC NAME: 3-nitropropan-1-amine
MOLECULAR FORMULA: C3H8N2O2
MOLECULAR WEIGHT: 104.10782
SMILES: C(CN)C[N+](=O)[O-]
Structure:
CAS RN: 101418-92-2
CAS Name: 1,3,3-trimethyl-4-phenyl-2H-pyridin-1-ium
OPENEYE Name: 1,3,3-trimethyl-4-phenyl-2H-pyridin-1-ium
IUPAC Name: 1,3,3-trimethyl-4-phenyl-2H-pyridin-1-ium
SYSTEMATIC NAME: 1,3,3-trimethyl-4-phenyl-2H-pyridin-1-ium
MOLECULAR FORMULA: C14H18N+
MOLECULAR WEIGHT: 200.29942
SMILES: CC1(C[N+](=CC=C1C2=CC=CC=C2)C)C
Structure:
CAS RN: 154540-49-5
CAS Name: 4-amino-5-chloro-N-[1-[(4-fluorophenyl)methyl]-4-piperidinyl]-2-methoxybenzamide
OPENEYE Name: 4-amino-5-chloro-N-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-2-methoxy-benzamide
IUPAC Name: 4-amino-5-chloro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methoxybenzamide
SYSTEMATIC NAME: 4-azanyl-5-chloranyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methoxy-benzamide
MOLECULAR FORMULA: C20H23ClFN3O2
MOLECULAR WEIGHT: 391.866923
SMILES: COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC=C(C=C3)F)Cl)N
Structure:
CAS RN: 154461-38-8
CAS Name: (4S)-4-[(1-oxo-7-phenylheptyl)amino]-5-[[4-(phenylmethyl)phenyl]thio]pentanoic acid
OPENEYE Name: (4S)-5-(4-benzylphenyl)sulfanyl-4-(7-phenylheptanoylamino)pentanoic acid
IUPAC Name: (4S)-5-(4-benzylphenyl)sulfanyl-4-(7-phenylheptanoylamino)pentanoic acid
SYSTEMATIC NAME: (4S)-4-(7-phenylheptanoylamino)-5-[4-(phenylmethyl)phenyl]sulfanyl-pentanoic acid
MOLECULAR FORMULA: C31H37NO3S
MOLECULAR WEIGHT: 503.69538
SMILES: C1=CC=C(C=C1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSC2=CC=C(C=C2)CC3=CC=CC=C3
Structure:
CAS RN: 154420-28-7
CAS Name: (2R)-2-amino-3-(3-oxo-5-phenyl-4-isoxazolyl)propanoic acid
OPENEYE Name: (2R)-2-amino-3-(3-oxo-5-phenyl-isoxazol-4-yl)propanoic acid
IUPAC Name: (2R)-2-amino-3-(3-oxo-5-phenyl-1,2-oxazol-4-yl)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(3-oxidanylidene-5-phenyl-1,2-oxazol-4-yl)propanoic acid
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: C1=CC=C(C=C1)C2=C(C(=O)NO2)C[C@H](C(=O)O)N
Structure:
CAS RN: 154116-34-4
CAS Name: (1S)-N-(diphenoxyphosphorylmethyl)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethanamine
OPENEYE Name: (1S)-N-(diphenoxyphosphorylmethyl)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethanamine
IUPAC Name: (1S)-N-(diphenoxyphosphorylmethyl)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethanamine
SYSTEMATIC NAME: (1S)-N-(diphenoxyphosphorylmethyl)-2-(4-phenylphenyl)-1-(2H-1,2,3,4-tetrazol-5-yl)ethanamine
MOLECULAR FORMULA: C28H26N5O3P
MOLECULAR WEIGHT: 511.511501
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C[C@@H](C3=NNN=N3)NCP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5
Structure:
CAS RN: 153954-29-1
CAS Name: (2-amino-3,8-dimethyl-4-imidazo[4,5-f]quinoxalinyl)methanol
OPENEYE Name: (2-amino-3,8-dimethyl-imidazo[4,5-f]quinoxalin-4-yl)methanol
IUPAC Name: (2-amino-3,8-dimethylimidazo[4,5-f]quinoxalin-4-yl)methanol
SYSTEMATIC NAME: (2-azanyl-3,8-dimethyl-imidazo[4,5-f]quinoxalin-4-yl)methanol
MOLECULAR FORMULA: C12H13N5O
MOLECULAR WEIGHT: 243.26452
SMILES: CC1=CN=C2C=C(C3=C(C2=N1)N=C(N3C)N)CO
Structure:
CAS RN: 153901-56-5
CAS Name: 8-chloro-1-methyl-5-(4-methyl-1-piperazinyl)-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
OPENEYE Name: 8-chloro-1-methyl-5-(4-methylpiperazin-1-yl)-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
IUPAC Name: 8-chloro-1-methyl-5-(4-methylpiperazin-1-yl)-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
SYSTEMATIC NAME: 8-chloranyl-1-methyl-5-(4-methylpiperazin-1-yl)-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
MOLECULAR FORMULA: C22H23ClN6
MOLECULAR WEIGHT: 406.91122
SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)N(C(=C2)N4CCN(CC4)C)C5=CC=CC=C5
Structure:
CAS RN: 153901-48-5
CAS Name: 2-[(8-chloro-1-methyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)thio]-N,N-dimethylethanamine
OPENEYE Name: 2-[(8-chloro-1-methyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]-N,N-dimethyl-ethanamine
IUPAC Name: 2-[(8-chloro-1-methyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[(8-chloranyl-1-methyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)sulfanyl]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C21H22ClN5S
MOLECULAR WEIGHT: 411.95088
SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)N(C(=C2)SCCN(C)C)C4=CC=CC=C4
Structure:
CAS RN: 153881-05-1
CAS Name: 2-[(3-bromanylphenyl)methyl]guanidine
OPENEYE Name: 2-[(3-bromanylphenyl)methyl]guanidine
IUPAC Name: 2-[(3-bromanylphenyl)methyl]guanidine
SYSTEMATIC NAME: 2-[(3-bromanylphenyl)methyl]guanidine
MOLECULAR FORMULA: C8H10BrN3
MOLECULAR WEIGHT: 224.109642
SMILES: C1=CC(=CC(=C1)[76Br])CN=C(N)N
Structure:
CAS RN: 153758-25-9
CAS Name: (3S,4S,5R,6R)-4,5-dihydroxy-6-[(2,2,2-trifluoro-1-oxoethyl)amino]-3-piperidinecarboxylic acid
OPENEYE Name: (3S,4S,5R,6R)-4,5-dihydroxy-6-[(2,2,2-trifluoroacetyl)amino]piperidine-3-carboxylic acid
IUPAC Name: (3S,4S,5R,6R)-4,5-dihydroxy-6-[(2,2,2-trifluoroacetyl)amino]piperidine-3-carboxylic acid
SYSTEMATIC NAME: (3S,4S,5R,6R)-4,5-bis(oxidanyl)-6-[2,2,2-tris(fluoranyl)ethanoylamino]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C8H11F3N2O5
MOLECULAR WEIGHT: 272.17855
SMILES: C1[C@@H]([C@@H]([C@@H]([C@H](N1)NC(=O)C(F)(F)F)O)O)C(=O)O
Structure:
CAS RN: 153692-15-0
CAS Name: [1-hydroxy-3-(1-methyl-3-pyridin-1-iumyl)-1-phosphonopropyl]phosphonic acid hydroxide
OPENEYE Name: [1-hydroxy-3-(1-methylpyridin-1-ium-3-yl)-1-phosphono-propyl]phosphonic acid hydroxide
IUPAC Name: [1-hydroxy-3-(1-methylpyridin-1-ium-3-yl)-1-phosphonopropyl]phosphonic acid hydroxide
SYSTEMATIC NAME: [3-(1-methylpyridin-1-ium-3-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid hydroxide
MOLECULAR FORMULA: C9H17NO8P2
MOLECULAR WEIGHT: 329.180702
SMILES: C[N+]1=CC=CC(=C1)CCC(O)(P(=O)(O)O)P(=O)(O)O.[OH-]
Structure:
CAS RN: 153504-72-4
CAS Name: 5-chloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
OPENEYE Name: 5-chloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
IUPAC Name: 5-chloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
SYSTEMATIC NAME: 5-chloranyl-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
MOLECULAR FORMULA: C9H4ClF3N2O2
MOLECULAR WEIGHT: 264.58847
SMILES: C1=C(C=C(C2=C1NC(=O)C(=O)N2)Cl)C(F)(F)F
Structure:
CAS RN: 153445-93-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20O9
MOLECULAR WEIGHT: 356.3246
SMILES: CC1CCC2(C13CC(C(C24COC4=O)(C(=O)OC)O)OC(=O)C3O)O
Structure:
CAS RN: 153445-92-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H22O8
MOLECULAR WEIGHT: 342.34108
SMILES: CC1CCC2(C13CC(C(C24COC4=O)(COC)O)OC(=O)C3O)O
Structure:
CAS RN: 153429-75-5
CAS Name: 4,6-bis(1-imidazolyl)-N,N-dimethyl-1,3,5-triazin-2-amine
OPENEYE Name: 4,6-di(imidazol-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
IUPAC Name: 4,6-di(imidazol-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-di(imidazol-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C11H12N8
MOLECULAR WEIGHT: 256.26658
SMILES: CN(C)C1=NC(=NC(=N1)N2C=CN=C2)N3C=CN=C3
Structure:
CAS RN: 153212-71-6
CAS Name: 2-amino-4-(3-nitrophenyl)-4-oxobutanoic acid
OPENEYE Name: 2-amino-4-(3-nitrophenyl)-4-oxo-butanoic acid
IUPAC Name: 2-amino-4-(3-nitrophenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 2-azanyl-4-(3-nitrophenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C10H10N2O5
MOLECULAR WEIGHT: 238.1968
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC(C(=O)O)N
Structure:
CAS RN: 153072-33-4
CAS Name: 2-cyclopropyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]-4-quinolinecarboxylic acid
OPENEYE Name: 2-cyclopropyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylic acid
IUPAC Name: 2-cyclopropyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-cyclopropyl-3-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylic acid
MOLECULAR FORMULA: C26H19N5O3
MOLECULAR WEIGHT: 449.46076
SMILES: C1CC1C2=NC3=CC=CC=C3C(=C2OC4=CC=C(C=C4)C5=CC=CC=C5C6=NNN=N6)C(=O)O
Structure:
CAS RN: 152833-54-0
CAS Name: 3-oxo-N-(2-oxo-3-oxolanyl)dodecanamide
OPENEYE Name: 3-oxo-N-(2-oxotetrahydrofuran-3-yl)dodecanamide
IUPAC Name: 3-oxo-N-(2-oxooxolan-3-yl)dodecanamide
SYSTEMATIC NAME: 3-oxidanylidene-N-(2-oxidanylideneoxolan-3-yl)dodecanamide
MOLECULAR FORMULA: C16H27NO4
MOLECULAR WEIGHT: 297.38988
SMILES: CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O
Structure:
CAS RN: 152783-29-4
CAS Name: 1-[(1S,3S,4S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]-1-propanone
OPENEYE Name: 1-[(1S,3S,4S,5R)-8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one
IUPAC Name: 1-[(1S,3S,4S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one
SYSTEMATIC NAME: 1-[(1S,3S,4S,5R)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one
MOLECULAR FORMULA: C18H25NO
MOLECULAR WEIGHT: 271.3972
SMILES: CCC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1C3=CC=C(C=C3)C
Structure:
CAS RN: 152575-66-1
CAS Name: 2-[3-[4-(4,5-diphenyl-2-oxazolyl)-5-oxazolyl]phenoxy]acetic acid
OPENEYE Name: 2-[3-[4-(4,5-diphenyloxazol-2-yl)oxazol-5-yl]phenoxy]acetic acid
IUPAC Name: 2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1,3-oxazol-5-yl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[3-[4-(4,5-diphenyl-1,3-oxazol-2-yl)-1,3-oxazol-5-yl]phenoxy]ethanoic acid
MOLECULAR FORMULA: C26H18N2O5
MOLECULAR WEIGHT: 438.43152
SMILES: C1=CC=C(C=C1)C2=C(OC(=N2)C3=C(OC=N3)C4=CC(=CC=C4)OCC(=O)O)C5=CC=CC=C5
Structure:
CAS RN: 152503-91-8
CAS Name: 6-[[4-(1-indolylsulfonyl)-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one
OPENEYE Name: 6-[(4-indol-1-ylsulfonyl-N-prop-2-ynyl-anilino)methyl]-2-methyl-1H-quinazolin-4-one
IUPAC Name: 6-[(4-indol-1-ylsulfonyl-N-prop-2-ynylanilino)methyl]-2-methyl-1H-quinazolin-4-one
SYSTEMATIC NAME: 6-[[(4-indol-1-ylsulfonylphenyl)-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one
MOLECULAR FORMULA: C27H22N4O3S
MOLECULAR WEIGHT: 482.55358
SMILES: CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)S(=O)(=O)N4C=CC5=CC=CC=C54
Structure:
No comments:
Post a Comment