CAS RN: 886362-77-2
CAS Name: 6-bromo-4,8-dichloro-3-quinolinecarbonitrile
OPENEYE Name: 6-bromo-4,8-dichloro-quinoline-3-carbonitrile
IUPAC Name: 6-bromo-4,8-dichloroquinoline-3-carbonitrile
SYSTEMATIC NAME: 6-bromanyl-4,8-bis(chloranyl)quinoline-3-carbonitrile
MOLECULAR FORMULA: C10H3BrCl2N2
MOLECULAR WEIGHT: 301.95422
SMILES: C1=C(C=C2C(=C1Cl)N=CC(=C2Cl)C#N)Br
Structure:
CAS RN: 108372-23-2
CAS Name: N'-hydroxy-3-(4-methyl-1-piperazinyl)propanimidamide
OPENEYE Name: N'-hydroxy-3-(4-methylpiperazin-1-yl)propanamidine
IUPAC Name: N'-hydroxy-3-(4-methylpiperazin-1-yl)propanimidamide
SYSTEMATIC NAME: 3-(4-methylpiperazin-1-yl)-N'-oxidanyl-propanimidamide
MOLECULAR FORMULA: C8H18N4O
MOLECULAR WEIGHT: 186.25472
SMILES: CN1CCN(CC1)CC/C(=N/O)/N
Structure:
CAS RN: 68134-06-5
CAS Name: 2-(4-methylpentan-2-yloxymethyl)oxirane
OPENEYE Name: 2-(1,3-dimethylbutoxymethyl)oxirane
IUPAC Name: 2-(4-methylpentan-2-yloxymethyl)oxirane
SYSTEMATIC NAME: 2-(4-methylpentan-2-yloxymethyl)oxirane
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: CC(C)CC(C)OCC1CO1
Structure:
CAS RN: 1016674-12-6
CAS Name: 4-chloro-N-(4-cyanophenyl)butanamide
OPENEYE Name: 4-chloro-N-(4-cyanophenyl)butanamide
IUPAC Name: 4-chloro-N-(4-cyanophenyl)butanamide
SYSTEMATIC NAME: 4-chloranyl-N-(4-cyanophenyl)butanamide
MOLECULAR FORMULA: C11H11ClN2O
MOLECULAR WEIGHT: 222.67084
SMILES: C1=CC(=CC=C1C#N)NC(=O)CCCCl
Structure:
CAS RN: 67015-08-1
CAS Name: 2-(dimethylamino)-N'-hydroxyethanimidamide
OPENEYE Name: 2-(dimethylamino)-N'-hydroxy-acetamidine
IUPAC Name: 2-(dimethylamino)-N'-hydroxyethanimidamide
SYSTEMATIC NAME: 2-(dimethylamino)-N'-oxidanyl-ethanimidamide
MOLECULAR FORMULA: C4H11N3O
MOLECULAR WEIGHT: 117.14964
SMILES: CN(C)C/C(=N/O)/N
Structure:
CAS RN: 444666-61-9
CAS Name: [1-(4-morpholinyl)cyclopentyl]methanamine
OPENEYE Name: (1-morpholinocyclopentyl)methanamine
IUPAC Name: (1-morpholin-4-ylcyclopentyl)methanamine
SYSTEMATIC NAME: (1-morpholin-4-ylcyclopentyl)methanamine
MOLECULAR FORMULA: C10H20N2O
MOLECULAR WEIGHT: 184.2786
SMILES: C1CCC(C1)(CN)N2CCOCC2
Structure:
CAS RN: 886362-71-6
CAS Name: 6-bromo-4-chloro-8-fluoro-3-quinolinecarbonitrile
OPENEYE Name: 6-bromo-4-chloro-8-fluoro-quinoline-3-carbonitrile
IUPAC Name: 6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile
SYSTEMATIC NAME: 6-bromanyl-4-chloranyl-8-fluoranyl-quinoline-3-carbonitrile
MOLECULAR FORMULA: C10H3BrClFN2
MOLECULAR WEIGHT: 285.499623
SMILES: C1=C(C=C2C(=C1F)N=CC(=C2Cl)C#N)Br
Structure:
CAS RN: 118979-65-0
CAS Name: 3-(1-azepanyl)-1-propanamine dihydrochloride
OPENEYE Name: 3-(azepan-1-yl)propan-1-amine dihydrochloride
IUPAC Name: 3-(azepan-1-yl)propan-1-amine dihydrochloride
SYSTEMATIC NAME: 3-(azepan-1-yl)propan-1-amine dihydrochloride
MOLECULAR FORMULA: C9H22Cl2N2
MOLECULAR WEIGHT: 229.19038
SMILES: C1CCCN(CC1)CCCN.Cl.Cl
Structure:
CAS RN: 74557-73-6
CAS Name: 3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid
OPENEYE Name: 3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid
IUPAC Name: 3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid
SYSTEMATIC NAME: 3-methyl-6-oxidanylidene-1H-pyridazine-5-carboxylic acid
MOLECULAR FORMULA: C6H6N2O3
MOLECULAR WEIGHT: 154.12344
SMILES: CC1=NNC(=O)C(=C1)C(=O)O
Structure:
CAS RN: 920501-69-5
CAS Name: 1-(4-fluorophenyl)-1-cyclobutanamine
OPENEYE Name: 1-(4-fluorophenyl)cyclobutanamine
IUPAC Name: 1-(4-fluorophenyl)cyclobutan-1-amine
SYSTEMATIC NAME: 1-(4-fluorophenyl)cyclobutan-1-amine
MOLECULAR FORMULA: C10H12FN
MOLECULAR WEIGHT: 165.207383
SMILES: C1CC(C1)(C2=CC=C(C=C2)F)N
Structure:
CAS RN: 910444-09-6
CAS Name: 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)propanoic acid
OPENEYE Name: 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)propanoic acid
IUPAC Name: 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)propanoic acid
MOLECULAR FORMULA: C12H17NO4
MOLECULAR WEIGHT: 239.26768
SMILES: COC1=C(C=C(C=C1)CC(CN)C(=O)O)OC
Structure:
CAS RN: 682803-14-1
CAS Name: 2-(aminomethyl)-3-(4-methoxyphenyl)propanoic acid
OPENEYE Name: 2-(aminomethyl)-3-(4-methoxyphenyl)propanoic acid
IUPAC Name: 2-(aminomethyl)-3-(4-methoxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-(aminomethyl)-3-(4-methoxyphenyl)propanoic acid
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: COC1=CC=C(C=C1)CC(CN)C(=O)O
Structure:
CAS RN: 910443-91-3
CAS Name: 2-(aminomethyl)-3-(3-methoxyphenyl)propanoic acid
OPENEYE Name: 2-(aminomethyl)-3-(3-methoxyphenyl)propanoic acid
IUPAC Name: 2-(aminomethyl)-3-(3-methoxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-(aminomethyl)-3-(3-methoxyphenyl)propanoic acid
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: COC1=CC=CC(=C1)CC(CN)C(=O)O
Structure:
CAS RN: 910443-83-3
CAS Name: 2-(aminomethyl)-3-(4-fluorophenyl)propanoic acid
OPENEYE Name: 2-(aminomethyl)-3-(4-fluorophenyl)propanoic acid
IUPAC Name: 2-(aminomethyl)-3-(4-fluorophenyl)propanoic acid
SYSTEMATIC NAME: 2-(aminomethyl)-3-(4-fluorophenyl)propanoic acid
MOLECULAR FORMULA: C10H12FNO2
MOLECULAR WEIGHT: 197.206183
SMILES: C1=CC(=CC=C1CC(CN)C(=O)O)F
Structure:
CAS RN: 910443-81-1
CAS Name: 2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
OPENEYE Name: 2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
IUPAC Name: 2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
SYSTEMATIC NAME: 2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
MOLECULAR FORMULA: C10H12FNO2
MOLECULAR WEIGHT: 197.206183
SMILES: C1=CC=C(C(=C1)CC(CN)C(=O)O)F
Structure:
CAS RN: 1017232-95-9
CAS Name: 2-[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine
OPENEYE Name: 2-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanamine
IUPAC Name: 2-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanamine
SYSTEMATIC NAME: 2-[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine
MOLECULAR FORMULA: C11H13N3O
MOLECULAR WEIGHT: 203.24042
SMILES: C1=CC=C(C=C1)CC2=NN=C(O2)CCN
Structure:
CAS RN: 933722-78-2
CAS Name: 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethanamine
OPENEYE Name: 2-[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]ethanamine
IUPAC Name: 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethanamine
SYSTEMATIC NAME: 2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethanamine
MOLECULAR FORMULA: C9H10N4O
MOLECULAR WEIGHT: 190.2019
SMILES: C1=CN=CC=C1C2=NN=C(O2)CCN
Structure:
CAS RN: 933754-48-4
CAS Name: 2-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
OPENEYE Name: 2-[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]ethanamine
IUPAC Name: 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethanamine
SYSTEMATIC NAME: 2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethanamine
MOLECULAR FORMULA: C9H10N4O
MOLECULAR WEIGHT: 190.2019
SMILES: C1=CC(=CN=C1)C2=NN=C(O2)CCN
Structure:
CAS RN: 933756-55-9
CAS Name: [5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
OPENEYE Name: (5-benzyl-1,3,4-oxadiazol-2-yl)methanamine
IUPAC Name: (5-benzyl-1,3,4-oxadiazol-2-yl)methanamine
SYSTEMATIC NAME: [5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
MOLECULAR FORMULA: C10H11N3O
MOLECULAR WEIGHT: 189.21384
SMILES: C1=CC=C(C=C1)CC2=NN=C(O2)CN
Structure:
CAS RN: 803603-49-8
CAS Name: (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
OPENEYE Name: [5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]methanamine
IUPAC Name: (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
SYSTEMATIC NAME: (5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanamine
MOLECULAR FORMULA: C8H8N4O
MOLECULAR WEIGHT: 176.17532
SMILES: C1=CN=CC=C1C2=NN=C(O2)CN
Structure:
CAS RN: 737690-96-9
CAS Name: [5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanamine
OPENEYE Name: [5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]methanamine
IUPAC Name: (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanamine
SYSTEMATIC NAME: (5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanamine
MOLECULAR FORMULA: C8H8N4O
MOLECULAR WEIGHT: 176.17532
SMILES: C1=CC(=CN=C1)C2=NN=C(O2)CN
Structure:
CAS RN: 2923-56-0
CAS Name: [4-(trifluoromethyl)phenyl]hydrazine hydrochloride
OPENEYE Name: [4-(trifluoromethyl)phenyl]hydrazine hydrochloride
IUPAC Name: [4-(trifluoromethyl)phenyl]hydrazine hydrochloride
SYSTEMATIC NAME: [4-(trifluoromethyl)phenyl]diazane hydrochloride
MOLECULAR FORMULA: C7H8ClF3N2
MOLECULAR WEIGHT: 212.60003
SMILES: C1=CC(=CC=C1C(F)(F)F)NN.Cl
Structure:
CAS RN: 941717-10-8
CAS Name: 2-pyridin-4-yl-1-cyclopropanecarboxaldehyde
OPENEYE Name: 2-(4-pyridyl)cyclopropanecarbaldehyde
IUPAC Name: 2-pyridin-4-ylcyclopropane-1-carbaldehyde
SYSTEMATIC NAME: 2-pyridin-4-ylcyclopropane-1-carbaldehyde
MOLECULAR FORMULA: C9H9NO
MOLECULAR WEIGHT: 147.17386
SMILES: C1C(C1C2=CC=NC=C2)C=O
Structure:
CAS RN: 937796-10-6
CAS Name: 2-(1-pyrrolidinyl)-5-pyrimidinecarboxaldehyde
OPENEYE Name: 2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
IUPAC Name: 2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 2-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C9H11N3O
MOLECULAR WEIGHT: 177.20314
SMILES: C1CCN(C1)C2=NC=C(C=N2)C=O
Structure:
CAS RN: 852431-00-6
CAS Name: N-methyl-1-(3-phenyl-5-isoxazolyl)methanamine
OPENEYE Name: N-methyl-1-(3-phenylisoxazol-5-yl)methanamine
IUPAC Name: N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
SYSTEMATIC NAME: N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
MOLECULAR FORMULA: C11H12N2O
MOLECULAR WEIGHT: 188.22578
SMILES: CNCC1=CC(=NO1)C2=CC=CC=C2
Structure:
CAS RN: 912569-54-1
CAS Name: 5-isocyanato-2-(4-oxanyloxy)pyridine
OPENEYE Name: 5-isocyanato-2-tetrahydropyran-4-yloxy-pyridine
IUPAC Name: 5-isocyanato-2-(oxan-4-yloxy)pyridine
SYSTEMATIC NAME: 5-isocyanato-2-(oxan-4-yloxy)pyridine
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: C1COCCC1OC2=NC=C(C=C2)N=C=O
Structure:
CAS RN: 921938-65-0
CAS Name: 3-isocyanato-2-methylfuran
OPENEYE Name: 3-isocyanato-2-methyl-furan
IUPAC Name: 3-isocyanato-2-methylfuran
SYSTEMATIC NAME: 3-isocyanato-2-methyl-furan
MOLECULAR FORMULA: C6H5NO2
MOLECULAR WEIGHT: 123.1094
SMILES: CC1=C(C=CO1)N=C=O
Structure:
CAS RN: 950603-19-7
CAS Name: 5-(1-pyrrolidinyl)-2-pyridinecarboxylic acid
OPENEYE Name: 5-pyrrolidin-1-ylpyridine-2-carboxylic acid
IUPAC Name: 5-pyrrolidin-1-ylpyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-pyrrolidin-1-ylpyridine-2-carboxylic acid
MOLECULAR FORMULA: C10H12N2O2
MOLECULAR WEIGHT: 192.21448
SMILES: C1CCN(C1)C2=CN=C(C=C2)C(=O)O
Structure:
CAS RN: 448967-90-6
CAS Name: (1-methyl-5-indolyl)methanol
OPENEYE Name: (1-methylindol-5-yl)methanol
IUPAC Name: (1-methylindol-5-yl)methanol
SYSTEMATIC NAME: (1-methylindol-5-yl)methanol
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: CN1C=CC2=C1C=CC(=C2)CO
Structure:
CAS RN: 916766-81-9
CAS Name: 4-(1-methyl-3-pyrazolyl)benzenesulfonyl chloride
OPENEYE Name: 4-(1-methylpyrazol-3-yl)benzenesulfonyl chloride
IUPAC Name: 4-(1-methylpyrazol-3-yl)benzenesulfonyl chloride
SYSTEMATIC NAME: 4-(1-methylpyrazol-3-yl)benzenesulfonyl chloride
MOLECULAR FORMULA: C10H9ClN2O2S
MOLECULAR WEIGHT: 256.70866
SMILES: CN1C=CC(=N1)C2=CC=C(C=C2)S(=O)(=O)Cl
Structure:
CAS RN: 1015610-31-7
CAS Name: 4-chloro-5-iodo-1H-pyrrolo[2,3-b]pyridine
OPENEYE Name: 4-chloro-5-iodo-1H-pyrrolo[2,3-b]pyridine
IUPAC Name: 4-chloro-5-iodo-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 4-chloranyl-5-iodanyl-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C7H4ClIN2
MOLECULAR WEIGHT: 278.47753
SMILES: C1=CNC2=NC=C(C(=C21)Cl)I
Structure:
CAS RN: 1015610-23-7
CAS Name: 5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine
OPENEYE Name: 5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine
IUPAC Name: 5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 5-fluoranyl-4-iodanyl-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C7H4FIN2
MOLECULAR WEIGHT: 262.022933
SMILES: C1=CNC2=NC=C(C(=C21)I)F
Structure:
CAS RN: 958230-19-8
CAS Name: 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxaldehyde
OPENEYE Name: 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
IUPAC Name: 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
SYSTEMATIC NAME: 4-chloranyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
MOLECULAR FORMULA: C8H5ClN2O
MOLECULAR WEIGHT: 180.5911
SMILES: C1=CNC2=NC=C(C(=C21)Cl)C=O
Structure:
CAS RN: 944937-53-5
CAS Name: 6-bromo-1H-pyrrolo[3,2-b]pyridine
OPENEYE Name: 6-bromo-1H-pyrrolo[3,2-b]pyridine
IUPAC Name: 6-bromo-1H-pyrrolo[3,2-b]pyridine
SYSTEMATIC NAME: 6-bromanyl-1H-pyrrolo[3,2-b]pyridine
MOLECULAR FORMULA: C7H5BrN2
MOLECULAR WEIGHT: 197.032
SMILES: C1=CNC2=CC(=CN=C21)Br
Structure:
CAS RN: 928653-83-2
CAS Name: 5-methoxy-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 5-methoxypyrrolo[2,3-b]pyridine-1-carboxylate
IUPAC Name: tert-butyl 5-methoxypyrrolo[2,3-b]pyridine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 5-methoxypyrrolo[2,3-b]pyridine-1-carboxylate
MOLECULAR FORMULA: C13H16N2O3
MOLECULAR WEIGHT: 248.27774
SMILES: CC(C)(C)OC(=O)N1C=CC2=CC(=CN=C21)OC
Structure:
CAS RN: 898746-50-4
CAS Name: 5-iodo-1H-pyrrolo[2,3-b]pyridine
OPENEYE Name: 5-iodo-1H-pyrrolo[2,3-b]pyridine
IUPAC Name: 5-iodo-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 5-iodanyl-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C7H5IN2
MOLECULAR WEIGHT: 244.03247
SMILES: C1=CNC2=NC=C(C=C21)I
Structure:
CAS RN: 866546-07-8
CAS Name: 5-chloro-1H-pyrrolo[2,3-b]pyridine
OPENEYE Name: 5-chloro-1H-pyrrolo[2,3-b]pyridine
IUPAC Name: 5-chloro-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 5-chloranyl-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C7H5ClN2
MOLECULAR WEIGHT: 152.581
SMILES: C1=CNC2=NC=C(C=C21)Cl
Structure:
CAS RN: 757978-18-0
CAS Name: 5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine
OPENEYE Name: 5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine
IUPAC Name: 5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 5-bromanyl-3-iodanyl-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C7H4BrIN2
MOLECULAR WEIGHT: 322.92853
SMILES: C1=C2C(=CNC2=NC=C1Br)I
Structure:
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