CAS RN: 73535-73-6
CAS Name: (2S)-2-(6-chloro-3-pyridazinyl)-2-phenylacetonitrile
OPENEYE Name: (2S)-2-(6-chloropyridazin-3-yl)-2-phenyl-acetonitrile
IUPAC Name: (2S)-2-(6-chloropyridazin-3-yl)-2-phenylacetonitrile
SYSTEMATIC NAME: (2S)-2-(6-chloranylpyridazin-3-yl)-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C12H8ClN3
MOLECULAR WEIGHT: 229.66502
SMILES: C1=CC=C(C=C1)[C@H](C#N)C2=NN=C(C=C2)Cl
Structure:
CAS RN: 73535-73-6
CAS Name: (2R)-2-(6-chloro-3-pyridazinyl)-2-phenylacetonitrile
OPENEYE Name: (2R)-2-(6-chloropyridazin-3-yl)-2-phenyl-acetonitrile
IUPAC Name: (2R)-2-(6-chloropyridazin-3-yl)-2-phenylacetonitrile
SYSTEMATIC NAME: (2R)-2-(6-chloranylpyridazin-3-yl)-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C12H8ClN3
MOLECULAR WEIGHT: 229.66502
SMILES: C1=CC=C(C=C1)[C@@H](C#N)C2=NN=C(C=C2)Cl
Structure:
CAS RN: 34595-23-8
CAS Name: 2-(1-piperidinyl)-3-pyridin-1-iumcarbonitrile
OPENEYE Name: 2-(1-piperidyl)pyridin-1-ium-3-carbonitrile
IUPAC Name: 2-piperidin-1-ylpyridin-1-ium-3-carbonitrile
SYSTEMATIC NAME: 2-piperidin-1-ylpyridin-1-ium-3-carbonitrile
MOLECULAR FORMULA: C11H14N3+
MOLECULAR WEIGHT: 188.24896
SMILES: C1CCN(CC1)C2=C(C=CC=[NH+]2)C#N
Structure:
CAS RN: 182181-19-7
CAS Name: 6-chloro-2-imidazo[1,2-a]pyridinecarboxylate
OPENEYE Name: 6-chloroimidazo[1,2-a]pyridine-2-carboxylate
IUPAC Name: 6-chloroimidazo[1,2-a]pyridine-2-carboxylate
SYSTEMATIC NAME: 6-chloranylimidazo[1,2-a]pyridine-2-carboxylate
MOLECULAR FORMULA: C8H4ClN2O2-
MOLECULAR WEIGHT: 195.58256
SMILES: C1=CC2=NC(=CN2C=C1Cl)C(=O)[O-]
Structure:
CAS RN: 116290-72-3
CAS Name: 4-(1-piperazin-4-iumyl)benzonitrile
OPENEYE Name: 4-piperazin-4-ium-1-ylbenzonitrile
IUPAC Name: 4-piperazin-4-ium-1-ylbenzonitrile
SYSTEMATIC NAME: 4-piperazin-4-ium-1-ylbenzenecarbonitrile
MOLECULAR FORMULA: C11H14N3+
MOLECULAR WEIGHT: 188.24896
SMILES: C1CN(CC[NH2+]1)C2=CC=C(C=C2)C#N
Structure:
CAS RN: 72857-86-4
CAS Name: (2R)-3,4-dibromo-2-phenyl-2H-furan-5-one
OPENEYE Name: (2R)-3,4-dibromo-2-phenyl-2H-furan-5-one
IUPAC Name: (2R)-3,4-dibromo-2-phenyl-2H-furan-5-one
SYSTEMATIC NAME: (2R)-3,4-bis(bromanyl)-2-phenyl-2H-furan-5-one
MOLECULAR FORMULA: C10H6Br2O2
MOLECULAR WEIGHT: 317.96144
SMILES: C1=CC=C(C=C1)[C@@H]2C(=C(C(=O)O2)Br)Br
Structure:
CAS RN: 72857-86-4
CAS Name: (2S)-3,4-dibromo-2-phenyl-2H-furan-5-one
OPENEYE Name: (2S)-3,4-dibromo-2-phenyl-2H-furan-5-one
IUPAC Name: (2S)-3,4-dibromo-2-phenyl-2H-furan-5-one
SYSTEMATIC NAME: (2S)-3,4-bis(bromanyl)-2-phenyl-2H-furan-5-one
MOLECULAR FORMULA: C10H6Br2O2
MOLECULAR WEIGHT: 317.96144
SMILES: C1=CC=C(C=C1)[C@H]2C(=C(C(=O)O2)Br)Br
Structure:
CAS RN: 33323-03-4
CAS Name: (4S)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl (4S)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
IUPAC Name: ethyl (4S)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl (4S)-2-methyl-5-oxidanylidene-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
MOLECULAR FORMULA: C19H21NO3
MOLECULAR WEIGHT: 311.37494
SMILES: CCOC(=O)C1[C@H](C2=C(CCCC2=O)N=C1C)C3=CC=CC=C3
Structure:
CAS RN: 33323-03-4
CAS Name: (4R)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl (4R)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
IUPAC Name: ethyl (4R)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl (4R)-2-methyl-5-oxidanylidene-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
MOLECULAR FORMULA: C19H21NO3
MOLECULAR WEIGHT: 311.37494
SMILES: CCOC(=O)C1[C@@H](C2=C(CCCC2=O)N=C1C)C3=CC=CC=C3
Structure:
CAS RN: 32278-16-3
CAS Name: (3R)-3-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine
OPENEYE Name: (3R)-3-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine
IUPAC Name: (3R)-3-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine
SYSTEMATIC NAME: (3R)-3-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: CC(C)(C)[C@@H]1COC2=CC=CC=C2N1
Structure:
CAS RN: 65548-02-9
CAS Name: (2S)-2-cyano-2-(2-nitrophenyl)acetic acid ethyl ester
OPENEYE Name: ethyl (2S)-2-cyano-2-(2-nitrophenyl)acetate
IUPAC Name: ethyl (2S)-2-cyano-2-(2-nitrophenyl)acetate
SYSTEMATIC NAME: ethyl (2S)-2-cyano-2-(2-nitrophenyl)ethanoate
MOLECULAR FORMULA: C11H10N2O4
MOLECULAR WEIGHT: 234.2081
SMILES: CCOC(=O)[C@H](C#N)C1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 65548-02-9
CAS Name: (2R)-2-cyano-2-(2-nitrophenyl)acetic acid ethyl ester
OPENEYE Name: ethyl (2R)-2-cyano-2-(2-nitrophenyl)acetate
IUPAC Name: ethyl (2R)-2-cyano-2-(2-nitrophenyl)acetate
SYSTEMATIC NAME: ethyl (2R)-2-cyano-2-(2-nitrophenyl)ethanoate
MOLECULAR FORMULA: C11H10N2O4
MOLECULAR WEIGHT: 234.2081
SMILES: CCOC(=O)[C@@H](C#N)C1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 80041-99-2
CAS Name: 2-[[(4S)-4-hydroxy-2-isoxazolidinyl]-oxomethyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-[(4S)-4-hydroxyisoxazolidine-2-carbonyl]benzoate
IUPAC Name: methyl 2-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]benzoate
SYSTEMATIC NAME: methyl 2-[[(4S)-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]benzoate
MOLECULAR FORMULA: C12H13NO5
MOLECULAR WEIGHT: 251.23532
SMILES: COC(=O)C1=CC=CC=C1C(=O)N2C[C@@H](CO2)O
Structure:
CAS RN: 80041-99-2
CAS Name: 2-[[(4R)-4-hydroxy-2-isoxazolidinyl]-oxomethyl]benzoic acid methyl ester
OPENEYE Name: methyl 2-[(4R)-4-hydroxyisoxazolidine-2-carbonyl]benzoate
IUPAC Name: methyl 2-[(4R)-4-hydroxy-1,2-oxazolidine-2-carbonyl]benzoate
SYSTEMATIC NAME: methyl 2-[[(4R)-4-oxidanyl-1,2-oxazolidin-2-yl]carbonyl]benzoate
MOLECULAR FORMULA: C12H13NO5
MOLECULAR WEIGHT: 251.23532
SMILES: COC(=O)C1=CC=CC=C1C(=O)N2C[C@H](CO2)O
Structure:
CAS RN: 134441-61-5
CAS Name: (2R)-2-(hydroxymethyl)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate
IUPAC Name: tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C11H21NO3
MOLECULAR WEIGHT: 215.28934
SMILES: CC(C)(C)OC(=O)N1CCCC[C@@H]1CO
Structure:
CAS RN: 54503-18-3
CAS Name: (3S)-3-ammonio-3-(4-ethoxy-3-methoxyphenyl)propanoate
OPENEYE Name: (3S)-3-azaniumyl-3-(4-ethoxy-3-methoxy-phenyl)propanoate
IUPAC Name: (3S)-3-azaniumyl-3-(4-ethoxy-3-methoxyphenyl)propanoate
SYSTEMATIC NAME: (3S)-3-azaniumyl-3-(4-ethoxy-3-methoxy-phenyl)propanoate
MOLECULAR FORMULA: C12H17NO4
MOLECULAR WEIGHT: 239.26768
SMILES: CCOC1=C(C=C(C=C1)[C@H](CC(=O)[O-])[NH3+])OC
Structure:
CAS RN: 54503-18-3
CAS Name: (3R)-3-ammonio-3-(4-ethoxy-3-methoxyphenyl)propanoate
OPENEYE Name: (3R)-3-azaniumyl-3-(4-ethoxy-3-methoxy-phenyl)propanoate
IUPAC Name: (3R)-3-azaniumyl-3-(4-ethoxy-3-methoxyphenyl)propanoate
SYSTEMATIC NAME: (3R)-3-azaniumyl-3-(4-ethoxy-3-methoxy-phenyl)propanoate
MOLECULAR FORMULA: C12H17NO4
MOLECULAR WEIGHT: 239.26768
SMILES: CCOC1=C(C=C(C=C1)[C@@H](CC(=O)[O-])[NH3+])OC
Structure:
CAS RN: 5028-17-1
CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumamine
OPENEYE Name: 2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-amine
IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-amine
SYSTEMATIC NAME: 2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-amine
MOLECULAR FORMULA: C10H18N4+2
MOLECULAR WEIGHT: 194.27672
SMILES: C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)N
Structure:
CAS RN: 61292-28-2
CAS Name: (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
OPENEYE Name: (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
IUPAC Name: (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
SYSTEMATIC NAME: (1R)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
MOLECULAR FORMULA: C15H14Cl2O2
MOLECULAR WEIGHT: 297.17646
SMILES: C[C@H](C1=CC=C(C=C1)OCC2=C(C=C(C=C2)Cl)Cl)O
Structure:
CAS RN: 61292-28-2
CAS Name: (1S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
OPENEYE Name: (1S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
IUPAC Name: (1S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
SYSTEMATIC NAME: (1S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
MOLECULAR FORMULA: C15H14Cl2O2
MOLECULAR WEIGHT: 297.17646
SMILES: C[C@@H](C1=CC=C(C=C1)OCC2=C(C=C(C=C2)Cl)Cl)O
Structure:
CAS RN: 19345-02-9
CAS Name: [(3R,5R)-2-methyl-3-phenyl-5-isoxazolidinyl]methanol
OPENEYE Name: [(3R,5R)-2-methyl-3-phenyl-isoxazolidin-5-yl]methanol
IUPAC Name: [(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methanol
SYSTEMATIC NAME: [(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methanol
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CN1[C@H](C[C@@H](O1)CO)C2=CC=CC=C2
Structure:
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