CAS RN: 40106-58-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H11ClN2S
MOLECULAR WEIGHT: 238.73644
SMILES: C1CCC2=C(CC1)SC3=C2C(=NC=N3)Cl
Structure:
CAS RN: 202752-04-3
CAS Name: 4-(4-methoxyphenyl)benzenesulfonyl chloride
OPENEYE Name: 4-(4-methoxyphenyl)benzenesulfonyl chloride
IUPAC Name: 4-(4-methoxyphenyl)benzenesulfonyl chloride
SYSTEMATIC NAME: 4-(4-methoxyphenyl)benzenesulfonyl chloride
MOLECULAR FORMULA: C13H11ClO3S
MOLECULAR WEIGHT: 282.74264
SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)Cl
Structure:
CAS RN: 116748-66-4
CAS Name: 4-(4-fluorophenyl)benzenesulfonyl chloride
OPENEYE Name: 4-(4-fluorophenyl)benzenesulfonyl chloride
IUPAC Name: 4-(4-fluorophenyl)benzenesulfonyl chloride
SYSTEMATIC NAME: 4-(4-fluorophenyl)benzenesulfonyl chloride
MOLECULAR FORMULA: C12H8ClFO2S
MOLECULAR WEIGHT: 270.707123
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)Cl)F
Structure:
CAS RN: 20443-74-7
CAS Name: 4-(4-chlorophenyl)benzenesulfonyl chloride
OPENEYE Name: 4-(4-chlorophenyl)benzenesulfonyl chloride
IUPAC Name: 4-(4-chlorophenyl)benzenesulfonyl chloride
SYSTEMATIC NAME: 4-(4-chlorophenyl)benzenesulfonyl chloride
MOLECULAR FORMULA: C12H8Cl2O2S
MOLECULAR WEIGHT: 287.16172
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Cl)S(=O)(=O)Cl
Structure:
CAS RN: 193537-14-3
CAS Name: 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid O6-tert-butyl ester O3-ethyl ester
OPENEYE Name: O6-tert-butyl O3-ethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
IUPAC Name: 6-O-tert-butyl 3-O-ethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
SYSTEMATIC NAME: O6-tert-butyl O3-ethyl 2-azanyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
MOLECULAR FORMULA: C15H22N2O4S
MOLECULAR WEIGHT: 326.41118
SMILES: CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OC(C)(C)C)N
Structure:
CAS RN: 775579-08-3
CAS Name: [2-(3-chlorophenyl)-4-thiazolyl]methanamine
OPENEYE Name: [2-(3-chlorophenyl)thiazol-4-yl]methanamine
IUPAC Name: [2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanamine
SYSTEMATIC NAME: [2-(3-chlorophenyl)-1,3-thiazol-4-yl]methanamine
MOLECULAR FORMULA: C10H9ClN2S
MOLECULAR WEIGHT: 224.70986
SMILES: C1=CC(=CC(=C1)Cl)C2=NC(=CS2)CN
Structure:
CAS RN: 50593-91-4
CAS Name: 5-bromo-2-(methylthio)-4-pyrimidinecarboxylic acid methyl ester
OPENEYE Name: methyl 5-bromo-2-methylsulfanyl-pyrimidine-4-carboxylate
IUPAC Name: methyl 5-bromo-2-methylsulfanylpyrimidine-4-carboxylate
SYSTEMATIC NAME: methyl 5-bromanyl-2-methylsulfanyl-pyrimidine-4-carboxylate
MOLECULAR FORMULA: C7H7BrN2O2S
MOLECULAR WEIGHT: 263.11168
SMILES: COC(=O)C1=NC(=NC=C1Br)SC
Structure:
CAS RN: 6720-26-9
CAS Name: 2-(2-formylphenyl)benzoic acid
OPENEYE Name: 2-(2-formylphenyl)benzoic acid
IUPAC Name: 2-(2-formylphenyl)benzoic acid
SYSTEMATIC NAME: 2-(2-methanoylphenyl)benzoic acid
MOLECULAR FORMULA: C14H10O3
MOLECULAR WEIGHT: 226.2274
SMILES: C1=CC=C(C(=C1)C=O)C2=CC=CC=C2C(=O)O
Structure:
CAS RN: 222180-20-3
CAS Name: 3-(4-formylphenyl)benzoic acid
OPENEYE Name: 3-(4-formylphenyl)benzoic acid
IUPAC Name: 3-(4-formylphenyl)benzoic acid
SYSTEMATIC NAME: 3-(4-methanoylphenyl)benzoic acid
MOLECULAR FORMULA: C14H10O3
MOLECULAR WEIGHT: 226.2274
SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)C=O
Structure:
CAS RN: 70916-98-2
CAS Name: 4-(4-formylphenyl)benzoic acid
OPENEYE Name: 4-(4-formylphenyl)benzoic acid
IUPAC Name: 4-(4-formylphenyl)benzoic acid
SYSTEMATIC NAME: 4-(4-methanoylphenyl)benzoic acid
MOLECULAR FORMULA: C14H10O3
MOLECULAR WEIGHT: 226.2274
SMILES: C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 222180-23-6
CAS Name: 4-(3-formylphenyl)benzoic acid
OPENEYE Name: 4-(3-formylphenyl)benzoic acid
IUPAC Name: 4-(3-formylphenyl)benzoic acid
SYSTEMATIC NAME: 4-(3-methanoylphenyl)benzoic acid
MOLECULAR FORMULA: C14H10O3
MOLECULAR WEIGHT: 226.2274
SMILES: C1=CC(=CC(=C1)C=O)C2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 444120-94-9
CAS Name: 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
OPENEYE Name: 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name: 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SYSTEMATIC NAME: 2-chloranyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
MOLECULAR FORMULA: C11H15BClNO2
MOLECULAR WEIGHT: 239.5063
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)Cl
Structure:
CAS RN: 18999-45-6
CAS Name: 3-(1-imidazolyl)propanoic acid
OPENEYE Name: 3-imidazol-1-ylpropanoic acid
IUPAC Name: 3-imidazol-1-ylpropanoic acid
SYSTEMATIC NAME: 3-imidazol-1-ylpropanoic acid
MOLECULAR FORMULA: C6H8N2O2
MOLECULAR WEIGHT: 140.13992
SMILES: C1=CN(C=N1)CCC(=O)O
Structure:
CAS RN: 845885-86-1
CAS Name: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine
OPENEYE Name: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine
IUPAC Name: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine
SYSTEMATIC NAME: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine
MOLECULAR FORMULA: C10H14BNO2
MOLECULAR WEIGHT: 191.03466
SMILES: B1(OCC(CO1)(C)C)C2=CN=CC=C2
Structure:
CAS RN: 214360-62-0
CAS Name: 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
OPENEYE Name: 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name: 2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SYSTEMATIC NAME: 2-bromanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
MOLECULAR FORMULA: C11H15BBrNO2
MOLECULAR WEIGHT: 283.9573
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)Br
Structure:
CAS RN: 690632-29-2
CAS Name: 2,2-dimethyl-3-(4-methyl-1-piperidinyl)propanal
OPENEYE Name: 2,2-dimethyl-3-(4-methyl-1-piperidyl)propanal
IUPAC Name: 2,2-dimethyl-3-(4-methylpiperidin-1-yl)propanal
SYSTEMATIC NAME: 2,2-dimethyl-3-(4-methylpiperidin-1-yl)propanal
MOLECULAR FORMULA: C11H21NO
MOLECULAR WEIGHT: 183.29054
SMILES: CC1CCN(CC1)CC(C)(C)C=O
Structure:
CAS RN: 36151-45-8
CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzaldehyde
OPENEYE Name: 4-(2-oxopyrrolidin-1-yl)benzaldehyde
IUPAC Name: 4-(2-oxopyrrolidin-1-yl)benzaldehyde
SYSTEMATIC NAME: 4-(2-oxidanylidenepyrrolidin-1-yl)benzaldehyde
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)C=O
Structure:
CAS RN: 21168-71-8
CAS Name: (1-ethyl-4-piperidinyl)methanamine
OPENEYE Name: (1-ethyl-4-piperidyl)methanamine
IUPAC Name: (1-ethylpiperidin-4-yl)methanamine
SYSTEMATIC NAME: (1-ethylpiperidin-4-yl)methanamine
MOLECULAR FORMULA: C8H18N2
MOLECULAR WEIGHT: 142.24192
SMILES: CCN1CCC(CC1)CN
Structure:
CAS RN: 690632-11-2
CAS Name: 2-methyl-1-(4-methyl-1-piperidinyl)-2-propanamine
OPENEYE Name: 2-methyl-1-(4-methyl-1-piperidyl)propan-2-amine
IUPAC Name: 2-methyl-1-(4-methylpiperidin-1-yl)propan-2-amine
SYSTEMATIC NAME: 2-methyl-1-(4-methylpiperidin-1-yl)propan-2-amine
MOLECULAR FORMULA: C10H22N2
MOLECULAR WEIGHT: 170.29508
SMILES: CC1CCN(CC1)CC(C)(C)N
Structure:
CAS RN: 34155-39-0
CAS Name: 2-methyl-1-(1-pyrrolidinyl)-2-propanamine
OPENEYE Name: 2-methyl-1-pyrrolidin-1-yl-propan-2-amine
IUPAC Name: 2-methyl-1-pyrrolidin-1-ylpropan-2-amine
SYSTEMATIC NAME: 2-methyl-1-pyrrolidin-1-yl-propan-2-amine
MOLECULAR FORMULA: C8H18N2
MOLECULAR WEIGHT: 142.24192
SMILES: CC(C)(CN1CCCC1)N
Structure:
CAS RN: 690632-28-1
CAS Name: 1-azepanyl(3-piperidinyl)methanone
OPENEYE Name: azepan-1-yl(3-piperidyl)methanone
IUPAC Name: azepan-1-yl(piperidin-3-yl)methanone
SYSTEMATIC NAME: azepan-1-yl(piperidin-3-yl)methanone
MOLECULAR FORMULA: C12H22N2O
MOLECULAR WEIGHT: 210.31588
SMILES: C1CCCN(CC1)C(=O)C2CCCNC2
Structure:
CAS RN: 86542-89-4
CAS Name: 1-azepanyl(4-piperidinyl)methanone
OPENEYE Name: azepan-1-yl(4-piperidyl)methanone
IUPAC Name: azepan-1-yl(piperidin-4-yl)methanone
SYSTEMATIC NAME: azepan-1-yl(piperidin-4-yl)methanone
MOLECULAR FORMULA: C12H22N2O
MOLECULAR WEIGHT: 210.31588
SMILES: C1CCCN(CC1)C(=O)C2CCNCC2
Structure:
CAS RN: 63214-58-4
CAS Name: 1-piperidinyl(4-piperidinyl)methanone
OPENEYE Name: 1-piperidyl(4-piperidyl)methanone
IUPAC Name: piperidin-1-yl(piperidin-4-yl)methanone
SYSTEMATIC NAME: piperidin-1-yl(piperidin-4-yl)methanone
MOLECULAR FORMULA: C11H20N2O
MOLECULAR WEIGHT: 196.2893
SMILES: C1CCN(CC1)C(=O)C2CCNCC2
Structure:
CAS RN: 35090-94-9
CAS Name: 3-piperidinyl(1-pyrrolidinyl)methanone
OPENEYE Name: 3-piperidyl(pyrrolidin-1-yl)methanone
IUPAC Name: piperidin-3-yl(pyrrolidin-1-yl)methanone
SYSTEMATIC NAME: piperidin-3-yl(pyrrolidin-1-yl)methanone
MOLECULAR FORMULA: C10H18N2O
MOLECULAR WEIGHT: 182.26272
SMILES: C1CCN(C1)C(=O)C2CCCNC2
Structure:
CAS RN: 92057-12-0
CAS Name: 3-thiophen-2-ylaniline
OPENEYE Name: 3-(2-thienyl)aniline
IUPAC Name: 3-thiophen-2-ylaniline
SYSTEMATIC NAME: 3-thiophen-2-ylaniline
MOLECULAR FORMULA: C10H9NS
MOLECULAR WEIGHT: 175.25016
SMILES: C1=CC(=CC(=C1)N)C2=CC=CS2
Structure:
CAS RN: 5298-72-6
CAS Name: (1-methyl-2-piperidinyl)methanamine
OPENEYE Name: (1-methyl-2-piperidyl)methanamine
IUPAC Name: (1-methylpiperidin-2-yl)methanamine
SYSTEMATIC NAME: (1-methylpiperidin-2-yl)methanamine
MOLECULAR FORMULA: C7H16N2
MOLECULAR WEIGHT: 128.21534
SMILES: CN1CCCCC1CN
Structure:
CAS RN: 690632-84-9
CAS Name: [2-(1-piperidinyl)-3-pyridinyl]methanol
OPENEYE Name: [2-(1-piperidyl)-3-pyridyl]methanol
IUPAC Name: (2-piperidin-1-ylpyridin-3-yl)methanol
SYSTEMATIC NAME: (2-piperidin-1-ylpyridin-3-yl)methanol
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: C1CCN(CC1)C2=C(C=CC=N2)CO
Structure:
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