CAS RN: 68282-53-1
CAS Name: 5-methyl-1H-imidazole-4-carboxaldehyde
OPENEYE Name: 5-methyl-1H-imidazole-4-carbaldehyde
IUPAC Name: 5-methyl-1H-imidazole-4-carbaldehyde
SYSTEMATIC NAME: 5-methyl-1H-imidazole-4-carbaldehyde
MOLECULAR FORMULA: C5H6N2O
MOLECULAR WEIGHT: 110.11394
SMILES: CC1=C(N=CN1)C=O
Structure:
CAS RN: 35034-22-1
CAS Name: 2-methyl-1H-imidazole-5-carboxaldehyde
OPENEYE Name: 2-methyl-1H-imidazole-5-carbaldehyde
IUPAC Name: 2-methyl-1H-imidazole-5-carbaldehyde
SYSTEMATIC NAME: 2-methyl-1H-imidazole-5-carbaldehyde
MOLECULAR FORMULA: C5H6N2O
MOLECULAR WEIGHT: 110.11394
SMILES: CC1=NC=C(N1)C=O
Structure:
CAS RN: 4736-98-5
CAS Name: 2-[(3,5-difluorophenyl)methylthio]-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
OPENEYE Name: 2-[(3,5-difluorophenyl)methylsulfanyl]-5-[2-methyl-6-(trifluoromethyl)-3-pyridyl]-1,3,4-oxadiazole
IUPAC Name: 2-[(3,5-difluorophenyl)methylsulfanyl]-5-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[[3,5-bis(fluoranyl)phenyl]methylsulfanyl]-5-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C16H10F5N3OS
MOLECULAR WEIGHT: 387.327116
SMILES: CC1=C(C=CC(=N1)C(F)(F)F)C2=NN=C(O2)SCC3=CC(=CC(=C3)F)F
Structure:
CAS RN: 683274-51-3
CAS Name: 1,4-diazepan-1-yl(thiophen-2-yl)methanone
OPENEYE Name: 1,4-diazepan-1-yl(2-thienyl)methanone
IUPAC Name: 1,4-diazepan-1-yl(thiophen-2-yl)methanone
SYSTEMATIC NAME: 1,4-diazepan-1-yl(thiophen-2-yl)methanone
MOLECULAR FORMULA: C10H14N2OS
MOLECULAR WEIGHT: 210.29596
SMILES: C1CNCCN(C1)C(=O)C2=CC=CS2
Structure:
CAS RN: 41051-20-1
CAS Name: 4-chloro-3-oxobutanoic acid propan-2-yl ester
OPENEYE Name: isopropyl 4-chloro-3-oxo-butanoate
IUPAC Name: propan-2-yl 4-chloro-3-oxobutanoate
SYSTEMATIC NAME: propan-2-yl 4-chloranyl-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C7H11ClO3
MOLECULAR WEIGHT: 178.61344
SMILES: CC(C)OC(=O)CC(=O)CCl
Structure:
CAS RN: 131231-24-8
CAS Name: 3-(3-pyridinyl)benzaldehyde
OPENEYE Name: 3-(3-pyridyl)benzaldehyde
IUPAC Name: 3-pyridin-3-ylbenzaldehyde
SYSTEMATIC NAME: 3-pyridin-3-ylbenzaldehyde
MOLECULAR FORMULA: C12H9NO
MOLECULAR WEIGHT: 183.20596
SMILES: C1=CC(=CC(=C1)C=O)C2=CN=CC=C2
Structure:
CAS RN: 99660-97-6
CAS Name: 3,5-dibromobenzofuran
OPENEYE Name: 3,5-dibromobenzofuran
IUPAC Name: 3,5-dibromo-1-benzofuran
SYSTEMATIC NAME: 3,5-bis(bromanyl)-1-benzofuran
MOLECULAR FORMULA: C8H4Br2O
MOLECULAR WEIGHT: 275.92476
SMILES: C1=CC2=C(C=C1Br)C(=CO2)Br
Structure:
CAS RN: 123987-12-2
CAS Name: [2-(4-methyl-1-piperazinyl)phenyl]methanol
OPENEYE Name: [2-(4-methylpiperazin-1-yl)phenyl]methanol
IUPAC Name: [2-(4-methylpiperazin-1-yl)phenyl]methanol
SYSTEMATIC NAME: [2-(4-methylpiperazin-1-yl)phenyl]methanol
MOLECULAR FORMULA: C12H18N2O
MOLECULAR WEIGHT: 206.28412
SMILES: CN1CCN(CC1)C2=CC=CC=C2CO
Structure:
CAS RN: 85803-62-9
CAS Name: 2-(4-methyl-1-piperazinyl)benzaldehyde
OPENEYE Name: 2-(4-methylpiperazin-1-yl)benzaldehyde
IUPAC Name: 2-(4-methylpiperazin-1-yl)benzaldehyde
SYSTEMATIC NAME: 2-(4-methylpiperazin-1-yl)benzaldehyde
MOLECULAR FORMULA: C12H16N2O
MOLECULAR WEIGHT: 204.26824
SMILES: CN1CCN(CC1)C2=CC=CC=C2C=O
Structure:
CAS RN: 208190-04-9
CAS Name: 3-pyridin-4-ylbenzaldehyde
OPENEYE Name: 3-(4-pyridyl)benzaldehyde
IUPAC Name: 3-pyridin-4-ylbenzaldehyde
SYSTEMATIC NAME: 3-pyridin-4-ylbenzaldehyde
MOLECULAR FORMULA: C12H9NO
MOLECULAR WEIGHT: 183.20596
SMILES: C1=CC(=CC(=C1)C=O)C2=CC=NC=C2
Structure:
CAS RN: 106851-53-0
CAS Name: 2-(2-bromophenyl)thiophene
OPENEYE Name: 2-(2-bromophenyl)thiophene
IUPAC Name: 2-(2-bromophenyl)thiophene
SYSTEMATIC NAME: 2-(2-bromophenyl)thiophene
MOLECULAR FORMULA: C10H7BrS
MOLECULAR WEIGHT: 239.13158
SMILES: C1=CC=C(C(=C1)C2=CC=CS2)Br
Structure:
CAS RN: 99902-07-5
CAS Name: 2-thiophen-2-ylbenzaldehyde
OPENEYE Name: 2-(2-thienyl)benzaldehyde
IUPAC Name: 2-thiophen-2-ylbenzaldehyde
SYSTEMATIC NAME: 2-thiophen-2-ylbenzaldehyde
MOLECULAR FORMULA: C11H8OS
MOLECULAR WEIGHT: 188.24562
SMILES: C1=CC=C(C(=C1)C=O)C2=CC=CS2
Structure:
CAS RN: 69907-27-3
CAS Name: 1-(2-bromophenyl)pyrrole
OPENEYE Name: 1-(2-bromophenyl)pyrrole
IUPAC Name: 1-(2-bromophenyl)pyrrole
SYSTEMATIC NAME: 1-(2-bromophenyl)pyrrole
MOLECULAR FORMULA: C10H8BrN
MOLECULAR WEIGHT: 222.08122
SMILES: C1=CC=C(C(=C1)N2C=CC=C2)Br
Structure:
CAS RN: 214759-73-6
CAS Name: [4-(1-piperidinyl)phenyl]methanamine
OPENEYE Name: [4-(1-piperidyl)phenyl]methanamine
IUPAC Name: (4-piperidin-1-ylphenyl)methanamine
SYSTEMATIC NAME: (4-piperidin-1-ylphenyl)methanamine
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: C1CCN(CC1)C2=CC=C(C=C2)CN
Structure:
CAS RN: 625470-29-3
CAS Name: [3-(4-morpholinyl)phenyl]methanamine
OPENEYE Name: (3-morpholinophenyl)methanamine
IUPAC Name: (3-morpholin-4-ylphenyl)methanamine
SYSTEMATIC NAME: (3-morpholin-4-ylphenyl)methanamine
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: C1COCCN1C2=CC=CC(=C2)CN
Structure:
CAS RN: 215309-00-5
CAS Name: 3-(4-morpholinyl)benzoic acid
OPENEYE Name: 3-morpholinobenzoic acid
IUPAC Name: 3-morpholin-4-ylbenzoic acid
SYSTEMATIC NAME: 3-morpholin-4-ylbenzoic acid
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: C1COCCN1C2=CC=CC(=C2)C(=O)O
Structure:
CAS RN: 6188-23-4
CAS Name: 6-bromoimidazo[1,2-a]pyridine
OPENEYE Name: 6-bromoimidazo[1,2-a]pyridine
IUPAC Name: 6-bromoimidazo[1,2-a]pyridine
SYSTEMATIC NAME: 6-bromanylimidazo[1,2-a]pyridine
MOLECULAR FORMULA: C7H5BrN2
MOLECULAR WEIGHT: 197.032
SMILES: C1=CC2=NC=CN2C=C1Br
Structure:
CAS RN: 850375-11-0
CAS Name: 3-(1H-pyrazol-5-yl)benzoic acid
OPENEYE Name: 3-(1H-pyrazol-5-yl)benzoic acid
IUPAC Name: 3-(1H-pyrazol-5-yl)benzoic acid
SYSTEMATIC NAME: 3-(1H-pyrazol-5-yl)benzoic acid
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC=NN2
Structure:
CAS RN: 82090-52-6
CAS Name: 2-imidazo[1,2-a]pyridinylmethanol
OPENEYE Name: imidazo[1,2-a]pyridin-2-ylmethanol
IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethanol
SYSTEMATIC NAME: imidazo[1,2-a]pyridin-2-ylmethanol
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: C1=CC2=NC(=CN2C=C1)CO
Structure:
CAS RN: 23145-16-6
CAS Name: 5-bromo-2-benzofurancarboxaldehyde
OPENEYE Name: 5-bromobenzofuran-2-carbaldehyde
IUPAC Name: 5-bromo-1-benzofuran-2-carbaldehyde
SYSTEMATIC NAME: 5-bromanyl-1-benzofuran-2-carbaldehyde
MOLECULAR FORMULA: C9H5BrO2
MOLECULAR WEIGHT: 225.0388
SMILES: C1=CC2=C(C=C1Br)C=C(O2)C=O
Structure:
CAS RN: 170017-74-0
CAS Name: 4-(2-aminophenyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(2-aminophenyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(2-aminophenyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(2-aminophenyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C15H23N3O2
MOLECULAR WEIGHT: 277.36202
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2N
Structure:
CAS RN: 83933-16-8
CAS Name: 4-methyl-2-thiophenecarboxamide
OPENEYE Name: 4-methylthiophene-2-carboxamide
IUPAC Name: 4-methylthiophene-2-carboxamide
SYSTEMATIC NAME: 4-methylthiophene-2-carboxamide
MOLECULAR FORMULA: C6H7NOS
MOLECULAR WEIGHT: 141.19088
SMILES: CC1=CSC(=C1)C(=O)N
Structure:
CAS RN: 104163-39-5
CAS Name: (4-methyl-2-thiophenyl)methanamine
OPENEYE Name: (4-methyl-2-thienyl)methanamine
IUPAC Name: (4-methylthiophen-2-yl)methanamine
SYSTEMATIC NAME: (4-methylthiophen-2-yl)methanamine
MOLECULAR FORMULA: C6H9NS
MOLECULAR WEIGHT: 127.20736
SMILES: CC1=CSC(=C1)CN
Structure:
CAS RN: 500013-38-7
CAS Name: 3-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]methyl]benzoic acid
OPENEYE Name: 3-[(4-tert-butoxycarbonylpiperazin-1-yl)methyl]benzoic acid
IUPAC Name: 3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
SYSTEMATIC NAME: 3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
MOLECULAR FORMULA: C17H24N2O4
MOLECULAR WEIGHT: 320.38346
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)O
Structure:
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