CAS RN: 83353-96-2
CAS Name: acetic acid [1-(4-methoxyphenyl)-3-phenylpropyl] ester
OPENEYE Name: [1-(4-methoxyphenyl)-3-phenyl-propyl] acetate
IUPAC Name: [1-(4-methoxyphenyl)-3-phenylpropyl] acetate
SYSTEMATIC NAME: [1-(4-methoxyphenyl)-3-phenyl-propyl] ethanoate
MOLECULAR FORMULA: C18H20O3
MOLECULAR WEIGHT: 284.3496
SMILES: CC(=O)OC(CCC1=CC=CC=C1)C2=CC=C(C=C2)OC
Structure:
CAS RN: 6944-24-7
CAS Name: phenyl-[2-(3-pyridinyl)-1-piperidinyl]methanone
OPENEYE Name: phenyl-[2-(3-pyridyl)-1-piperidyl]methanone
IUPAC Name: phenyl-(2-pyridin-3-ylpiperidin-1-yl)methanone
SYSTEMATIC NAME: phenyl-(2-pyridin-3-ylpiperidin-1-yl)methanone
MOLECULAR FORMULA: C17H18N2O
MOLECULAR WEIGHT: 266.33762
SMILES: C1CCN(C(C1)C2=CN=CC=C2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 83318-76-7
CAS Name: acetic acid [1-(4-chlorophenyl)-3-phenylpropyl] ester
OPENEYE Name: [1-(4-chlorophenyl)-3-phenyl-propyl] acetate
IUPAC Name: [1-(4-chlorophenyl)-3-phenylpropyl] acetate
SYSTEMATIC NAME: [1-(4-chlorophenyl)-3-phenyl-propyl] ethanoate
MOLECULAR FORMULA: C17H17ClO2
MOLECULAR WEIGHT: 288.76868
SMILES: CC(=O)OC(CCC1=CC=CC=C1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 85230-37-1
CAS Name: 4-(3-dibenzofuranyl)butanoic acid
OPENEYE Name: 4-dibenzofuran-3-ylbutanoic acid
IUPAC Name: 4-dibenzofuran-3-ylbutanoic acid
SYSTEMATIC NAME: 4-dibenzofuran-3-ylbutanoic acid
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)CCCC(=O)O
Structure:
CAS RN: 85213-48-5
CAS Name: 1-(4-chlorophenyl)-3-phenyl-1-propanol
OPENEYE Name: 1-(4-chlorophenyl)-3-phenyl-propan-1-ol
IUPAC Name: 1-(4-chlorophenyl)-3-phenylpropan-1-ol
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-phenyl-propan-1-ol
MOLECULAR FORMULA: C15H15ClO
MOLECULAR WEIGHT: 246.732
SMILES: C1=CC=C(C=C1)CCC(C2=CC=C(C=C2)Cl)O
Structure:
CAS RN: 40496-57-9
CAS Name: 1-(4-chlorophenyl)-3-phenyl-2-propanone
OPENEYE Name: 1-(4-chlorophenyl)-3-phenyl-propan-2-one
IUPAC Name: 1-(4-chlorophenyl)-3-phenylpropan-2-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-phenyl-propan-2-one
MOLECULAR FORMULA: C15H13ClO
MOLECULAR WEIGHT: 244.71612
SMILES: C1=CC=C(C=C1)CC(=O)CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 3138-23-6
CAS Name: 1-(4-methoxyphenyl)-N,N-dimethyl-2-propanamine
OPENEYE Name: 1-(4-methoxyphenyl)-N,N-dimethyl-propan-2-amine
IUPAC Name: 1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-N,N-dimethyl-propan-2-amine
MOLECULAR FORMULA: C12H19NO
MOLECULAR WEIGHT: 193.28536
SMILES: CC(CC1=CC=C(C=C1)OC)N(C)C
Structure:
CAS RN: 16980-56-6
CAS Name: 4-tert-butyl-1-methyl-1-cyclohexanol
OPENEYE Name: 4-tert-butyl-1-methyl-cyclohexanol
IUPAC Name: 4-tert-butyl-1-methylcyclohexan-1-ol
SYSTEMATIC NAME: 4-tert-butyl-1-methyl-cyclohexan-1-ol
MOLECULAR FORMULA: C11H22O
MOLECULAR WEIGHT: 170.29178
SMILES: CC1(CCC(CC1)C(C)(C)C)O
Structure:
CAS RN: 7356-03-8
CAS Name: 2-methoxybutan-2-ylbenzene
OPENEYE Name: (1-methoxy-1-methyl-propyl)benzene
IUPAC Name: 2-methoxybutan-2-ylbenzene
SYSTEMATIC NAME: 2-methoxybutan-2-ylbenzene
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CCC(C)(C1=CC=CC=C1)OC
Structure:
CAS RN: 42746-87-2
CAS Name: 2-[(dimethylamino)methyl]-1-cyclopentanone
OPENEYE Name: 2-[(dimethylamino)methyl]cyclopentanone
IUPAC Name: 2-[(dimethylamino)methyl]cyclopentan-1-one
SYSTEMATIC NAME: 2-[(dimethylamino)methyl]cyclopentan-1-one
MOLECULAR FORMULA: C8H15NO
MOLECULAR WEIGHT: 141.2108
SMILES: CN(C)CC1CCCC1=O
Structure:
CAS RN: 5750-82-3
CAS Name: 5-bromo-5-ethyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-bromo-5-ethyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-bromo-5-ethyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-bromanyl-5-ethyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C6H7BrN2O3
MOLECULAR WEIGHT: 235.03538
SMILES: CCC1(C(=O)NC(=O)NC1=O)Br
Structure:
CAS RN: 6947-94-0
CAS Name: 2-methyl-3-furancarboxylic acid
OPENEYE Name: 2-methylfuran-3-carboxylic acid
IUPAC Name: 2-methylfuran-3-carboxylic acid
SYSTEMATIC NAME: 2-methylfuran-3-carboxylic acid
MOLECULAR FORMULA: C6H6O3
MOLECULAR WEIGHT: 126.11004
SMILES: CC1=C(C=CO1)C(=O)O
Structure:
CAS RN: 16874-68-3
CAS Name: 1-(1-chloro-2,2,2-trifluoroethyl)-4-methoxybenzene
OPENEYE Name: 1-(1-chloro-2,2,2-trifluoro-ethyl)-4-methoxy-benzene
IUPAC Name: 1-(1-chloro-2,2,2-trifluoroethyl)-4-methoxybenzene
SYSTEMATIC NAME: 1-[1-chloranyl-2,2,2-tris(fluoranyl)ethyl]-4-methoxy-benzene
MOLECULAR FORMULA: C9H8ClF3O
MOLECULAR WEIGHT: 224.60743
SMILES: COC1=CC=C(C=C1)C(C(F)(F)F)Cl
Structure:
CAS RN: 91091-63-3
CAS Name: 1-(1-chloro-2,2,2-trifluoroethyl)-4-methylbenzene
OPENEYE Name: 1-(1-chloro-2,2,2-trifluoro-ethyl)-4-methyl-benzene
IUPAC Name: 1-(1-chloro-2,2,2-trifluoroethyl)-4-methylbenzene
SYSTEMATIC NAME: 1-[1-chloranyl-2,2,2-tris(fluoranyl)ethyl]-4-methyl-benzene
MOLECULAR FORMULA: C9H8ClF3
MOLECULAR WEIGHT: 208.60803
SMILES: CC1=CC=C(C=C1)C(C(F)(F)F)Cl
Structure:
CAS RN: 34761-14-3
CAS Name: 1-(1-chloro-2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzene
OPENEYE Name: 1-(1-chloro-2,2,2-trifluoro-ethyl)-3-(trifluoromethyl)benzene
IUPAC Name: 1-(1-chloro-2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-[1-chloranyl-2,2,2-tris(fluoranyl)ethyl]-3-(trifluoromethyl)benzene
MOLECULAR FORMULA: C9H5ClF6
MOLECULAR WEIGHT: 262.579419
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(C(F)(F)F)Cl
Structure:
CAS RN: 2632-10-2
CAS Name: 2-bromo-1-(3,4-dichlorophenyl)ethanone
OPENEYE Name: 2-bromo-1-(3,4-dichlorophenyl)ethanone
IUPAC Name: 2-bromo-1-(3,4-dichlorophenyl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(3,4-dichlorophenyl)ethanone
MOLECULAR FORMULA: C8H5BrCl2O
MOLECULAR WEIGHT: 267.9347
SMILES: C1=CC(=C(C=C1C(=O)CBr)Cl)Cl
Structure:
CAS RN: 84888-30-2
CAS Name: phenyl-[4-(4-phenylphenyl)-4,5-dihydro-3H-pyrazol-3-yl]methanone
OPENEYE Name: phenyl-[4-(4-phenylphenyl)-4,5-dihydro-3H-pyrazol-3-yl]methanone
IUPAC Name: phenyl-[4-(4-phenylphenyl)-4,5-dihydro-3H-pyrazol-3-yl]methanone
SYSTEMATIC NAME: phenyl-[4-(4-phenylphenyl)-4,5-dihydro-3H-pyrazol-3-yl]methanone
MOLECULAR FORMULA: C22H18N2O
MOLECULAR WEIGHT: 326.39112
SMILES: C1C(C(N=N1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4
Structure:
CAS RN: 7510-42-1
CAS Name: [4-[4-(dimethylamino)phenyl]-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
OPENEYE Name: [4-[4-(dimethylamino)phenyl]-4,5-dihydro-3H-pyrazol-3-yl]-phenyl-methanone
IUPAC Name: [4-[4-(dimethylamino)phenyl]-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
SYSTEMATIC NAME: [4-[4-(dimethylamino)phenyl]-4,5-dihydro-3H-pyrazol-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C18H19N3O
MOLECULAR WEIGHT: 293.36296
SMILES: CN(C)C1=CC=C(C=C1)C2CN=NC2C(=O)C3=CC=CC=C3
Structure:
CAS RN: 105420-30-2
CAS Name: [4-(4-methoxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
OPENEYE Name: [4-(4-methoxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenyl-methanone
IUPAC Name: [4-(4-methoxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
SYSTEMATIC NAME: [4-(4-methoxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C17H16N2O2
MOLECULAR WEIGHT: 280.32114
SMILES: COC1=CC=C(C=C1)C2CN=NC2C(=O)C3=CC=CC=C3
Structure:
CAS RN: 105418-57-3
CAS Name: [4-(4-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
OPENEYE Name: [4-(4-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenyl-methanone
IUPAC Name: [4-(4-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
SYSTEMATIC NAME: [4-(4-hydroxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: C1C(C(N=N1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)O
Structure:
CAS RN: 93589-78-7
CAS Name: (4-hydroxyphenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
OPENEYE Name: (4-hydroxyphenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
IUPAC Name: (4-hydroxyphenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
SYSTEMATIC NAME: (4-hydroxyphenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: C1C(C(N=N1)C(=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 75102-75-9
CAS Name: [4-(4-nitrophenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
OPENEYE Name: [4-(4-nitrophenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenyl-methanone
IUPAC Name: [4-(4-nitrophenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
SYSTEMATIC NAME: [4-(4-nitrophenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C16H13N3O3
MOLECULAR WEIGHT: 295.29272
SMILES: C1C(C(N=N1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 6631-08-9
CAS Name: (4-chlorophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
OPENEYE Name: (4-chlorophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
IUPAC Name: (4-chlorophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
SYSTEMATIC NAME: (4-chlorophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
MOLECULAR FORMULA: C16H13ClN2O
MOLECULAR WEIGHT: 284.74022
SMILES: C1C(C(N=N1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
Structure:
CAS RN: 105404-34-0
CAS Name: (4-chlorophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
OPENEYE Name: (4-chlorophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
IUPAC Name: (4-chlorophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
SYSTEMATIC NAME: (4-chlorophenyl)-(4-phenyl-4,5-dihydro-3H-pyrazol-3-yl)methanone
MOLECULAR FORMULA: C16H13ClN2O
MOLECULAR WEIGHT: 284.74022
SMILES: C1C(C(N=N1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
Structure:
CAS RN: 105394-85-2
CAS Name: [4-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone
OPENEYE Name: [4-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-phenyl-methanone
IUPAC Name: [4-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone
SYSTEMATIC NAME: [4-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C16H13ClN2O
MOLECULAR WEIGHT: 284.74022
SMILES: C1C(C(=NN1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3Cl
Structure:
CAS RN: 10539-42-1
CAS Name: [4-(4-chlorophenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
OPENEYE Name: [4-(4-chlorophenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenyl-methanone
IUPAC Name: [4-(4-chlorophenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenylmethanone
SYSTEMATIC NAME: [4-(4-chlorophenyl)-4,5-dihydro-3H-pyrazol-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C16H13ClN2O
MOLECULAR WEIGHT: 284.74022
SMILES: C1C(C(N=N1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 1131-52-8
CAS Name: 3-ethoxy-4-methoxybenzaldehyde
OPENEYE Name: 3-ethoxy-4-methoxy-benzaldehyde
IUPAC Name: 3-ethoxy-4-methoxybenzaldehyde
SYSTEMATIC NAME: 3-ethoxy-4-methoxy-benzaldehyde
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: CCOC1=C(C=CC(=C1)C=O)OC
Structure:
CAS RN: 6631-01-2
CAS Name: 4-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole
OPENEYE Name: 4-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole
IUPAC Name: 4-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole
SYSTEMATIC NAME: 4-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazole
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: COC1=CC=CC=C1C2CNN=C2
Structure:
CAS RN: 75101-89-2
CAS Name: (4-bromo-4,5-dihydro-3H-pyrazol-3-yl)-phenylmethanone
OPENEYE Name: (4-bromo-4,5-dihydro-3H-pyrazol-3-yl)-phenyl-methanone
IUPAC Name: (4-bromo-4,5-dihydro-3H-pyrazol-3-yl)-phenylmethanone
SYSTEMATIC NAME: (4-bromanyl-4,5-dihydro-3H-pyrazol-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C10H9BrN2O
MOLECULAR WEIGHT: 253.09526
SMILES: C1C(C(N=N1)C(=O)C2=CC=CC=C2)Br
Structure:
CAS RN: 75098-56-5
CAS Name: 5-thiatriazolamine
OPENEYE Name: thiatriazol-5-amine
IUPAC Name: thiatriazol-5-amine
SYSTEMATIC NAME: 1,2,3,4-thiatriazol-5-amine
MOLECULAR FORMULA: CH2N4S
MOLECULAR WEIGHT: 102.11838
SMILES: C1(=NN=NS1)N
Structure:
CAS RN: 7509-38-8
CAS Name: 2-methylpropoxymethanediol
OPENEYE Name: isobutoxymethanediol
IUPAC Name: 2-methylpropoxymethanediol
SYSTEMATIC NAME: 2-methylpropoxymethanediol
MOLECULAR FORMULA: C5H12O3
MOLECULAR WEIGHT: 120.14698
SMILES: CC(C)COC(O)O
Structure:
CAS RN: 6630-84-8
CAS Name: 4-tert-butyl-2-[(dibutylamino)methyl]-1-cyclohexanol
OPENEYE Name: 4-tert-butyl-2-[(dibutylamino)methyl]cyclohexanol
IUPAC Name: 4-tert-butyl-2-[(dibutylamino)methyl]cyclohexan-1-ol
SYSTEMATIC NAME: 4-tert-butyl-2-[(dibutylamino)methyl]cyclohexan-1-ol
MOLECULAR FORMULA: C19H39NO
MOLECULAR WEIGHT: 297.51906
SMILES: CCCCN(CCCC)CC1CC(CCC1O)C(C)(C)C
Structure:
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