CAS RN: 17606-15-4
CAS Name: (6-methoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)-(3-methoxyphenyl)methanol hydrochloride
OPENEYE Name: (6-methoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)-(3-methoxyphenyl)methanol hydrochloride
IUPAC Name: (6-methoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)-(3-methoxyphenyl)methanol hydrochloride
SYSTEMATIC NAME: (6-methoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)-(3-methoxyphenyl)methanol hydrochloride
MOLECULAR FORMULA: C20H26ClNO3
MOLECULAR WEIGHT: 363.87834
SMILES: CC1CC2=C(C=CC(=C2)OC)C(N1C)C(C3=CC(=CC=C3)OC)O.Cl
Structure:
CAS RN: 17606-09-6
CAS Name: (4-methoxyphenyl)-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol hydrochloride
OPENEYE Name: (4-methoxyphenyl)-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol hydrochloride
IUPAC Name: (4-methoxyphenyl)-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol hydrochloride
SYSTEMATIC NAME: (4-methoxyphenyl)-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol hydrochloride
MOLECULAR FORMULA: C19H22ClNO4
MOLECULAR WEIGHT: 363.83528
SMILES: CN1CCC2=CC3=C(C=C2C1C(C4=CC=C(C=C4)OC)O)OCO3.Cl
Structure:
CAS RN: 17605-91-3
CAS Name: (3,5-dimethyl-1-pyrazolyl)-(5-methyl-3-isoxazolyl)methanone
OPENEYE Name: (3,5-dimethylpyrazol-1-yl)-(5-methylisoxazol-3-yl)methanone
IUPAC Name: (3,5-dimethylpyrazol-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SYSTEMATIC NAME: (3,5-dimethylpyrazol-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: CC1=CC(=NN1C(=O)C2=NOC(=C2)C)C
Structure:
CAS RN: 17605-90-2
CAS Name: (3,5-dimethyl-1-pyrazolyl)-(3-methyl-5-isoxazolyl)methanone
OPENEYE Name: (3,5-dimethylpyrazol-1-yl)-(3-methylisoxazol-5-yl)methanone
IUPAC Name: (3,5-dimethylpyrazol-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
SYSTEMATIC NAME: (3,5-dimethylpyrazol-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: CC1=CC(=NN1C(=O)C2=CC(=NO2)C)C
Structure:
CAS RN: 17605-89-9
CAS Name: (3,5-dimethyl-1-pyrazolyl)-[3-(trifluoromethyl)phenyl]methanone
OPENEYE Name: (3,5-dimethylpyrazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
IUPAC Name: (3,5-dimethylpyrazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
SYSTEMATIC NAME: (3,5-dimethylpyrazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
MOLECULAR FORMULA: C13H11F3N2O
MOLECULAR WEIGHT: 268.23445
SMILES: CC1=CC(=NN1C(=O)C2=CC(=CC=C2)C(F)(F)F)C
Structure:
CAS RN: 17605-88-8
CAS Name: (3,5-dimethyl-1-pyrazolyl)-[4-(trifluoromethyl)phenyl]methanone
OPENEYE Name: (3,5-dimethylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
IUPAC Name: (3,5-dimethylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SYSTEMATIC NAME: (3,5-dimethylpyrazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
MOLECULAR FORMULA: C13H11F3N2O
MOLECULAR WEIGHT: 268.23445
SMILES: CC1=CC(=NN1C(=O)C2=CC=C(C=C2)C(F)(F)F)C
Structure:
CAS RN: 17605-87-7
CAS Name: 4-[(3,5-dimethyl-1-pyrazolyl)sulfonyl]-3,5-dimethylisoxazole
OPENEYE Name: 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-3,5-dimethyl-isoxazole
IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole
SYSTEMATIC NAME: 4-(3,5-dimethylpyrazol-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole
MOLECULAR FORMULA: C10H13N3O3S
MOLECULAR WEIGHT: 255.29352
SMILES: CC1=CC(=NN1S(=O)(=O)C2=C(ON=C2C)C)C
Structure:
CAS RN: 17605-86-6
CAS Name: (3,5-dimethyl-1-pyrazolyl)-(3-pyridinyl)methanone
OPENEYE Name: (3,5-dimethylpyrazol-1-yl)-(3-pyridyl)methanone
IUPAC Name: (3,5-dimethylpyrazol-1-yl)-pyridin-3-ylmethanone
SYSTEMATIC NAME: (3,5-dimethylpyrazol-1-yl)-pyridin-3-yl-methanone
MOLECULAR FORMULA: C11H11N3O
MOLECULAR WEIGHT: 201.22454
SMILES: CC1=CC(=NN1C(=O)C2=CN=CC=C2)C
Structure:
CAS RN: 17605-85-5
CAS Name: (3,5-dimethyl-1-pyrazolyl)-[2-(trifluoromethyl)phenyl]methanone
OPENEYE Name: (3,5-dimethylpyrazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
IUPAC Name: (3,5-dimethylpyrazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
SYSTEMATIC NAME: (3,5-dimethylpyrazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
MOLECULAR FORMULA: C13H11F3N2O
MOLECULAR WEIGHT: 268.23445
SMILES: CC1=CC(=NN1C(=O)C2=CC=CC=C2C(F)(F)F)C
Structure:
CAS RN: 17605-83-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H84ClNO21
MOLECULAR WEIGHT: 1070.64906
SMILES: C[C@@H]1[C@H]2[C@H](CC3[C@@]2(CCC4C3CCC5[C@@]4(CCC(C5)[C@@]6([C@@H]([C@H]([C@H]([C@@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)OC11CCC(CN1)C.Cl
Structure:
CAS RN: 17583-78-7
CAS Name: 4-phenyl-3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumamine chloride
OPENEYE Name: 3-(1-methyl-2-phenyl-ethyl)-4-phenyl-oxadiazol-3-ium-5-amine chloride
IUPAC Name: 4-phenyl-3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-amine chloride
SYSTEMATIC NAME: 4-phenyl-3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-amine chloride
MOLECULAR FORMULA: C17H18ClN3O
MOLECULAR WEIGHT: 315.79732
SMILES: CC(CC1=CC=CC=C1)[N+]2=NOC(=C2C3=CC=CC=C3)N.[Cl-]
Structure:
CAS RN: 17583-77-6
CAS Name: 2-(5-amino-3-oxadiazol-3-iumyl)-1-phenyl-1-propanol chloride
OPENEYE Name: 2-(5-aminooxadiazol-3-ium-3-yl)-1-phenyl-propan-1-ol chloride
IUPAC Name: 2-(5-aminooxadiazol-3-ium-3-yl)-1-phenylpropan-1-ol chloride
SYSTEMATIC NAME: 2-(5-azanyl-1,2,3-oxadiazol-3-ium-3-yl)-1-phenyl-propan-1-ol chloride
MOLECULAR FORMULA: C11H14ClN3O2
MOLECULAR WEIGHT: 255.70076
SMILES: CC(C(C1=CC=CC=C1)O)[N+]2=NOC(=C2)N.[Cl-]
Structure:
CAS RN: 17583-76-5
CAS Name: 3-(2-phenoxyethyl)-4-oxadiazol-3-iumamine chloride
OPENEYE Name: 3-(2-phenoxyethyl)oxadiazol-3-ium-4-amine chloride
IUPAC Name: 3-(2-phenoxyethyl)oxadiazol-3-ium-4-amine chloride
SYSTEMATIC NAME: 3-(2-phenoxyethyl)-1,2,3-oxadiazol-3-ium-4-amine chloride
MOLECULAR FORMULA: C10H12ClN3O2
MOLECULAR WEIGHT: 241.67418
SMILES: C1=CC=C(C=C1)OCC[N+]2=NOC=C2N.[Cl-]
Structure:
CAS RN: 17578-43-7
CAS Name: N-methylcarbamic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester
OPENEYE Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] N-methylcarbamate
IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylcarbamate
SYSTEMATIC NAME: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] N-methylcarbamate
MOLECULAR FORMULA: C12H23NO2
MOLECULAR WEIGHT: 213.31652
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)NC)C(C)C
Structure:
CAS RN: 17575-67-6
CAS Name: 2-(N-prop-2-enylanilino)acetamide
OPENEYE Name: 2-(N-allylanilino)acetamide
IUPAC Name: 2-(N-prop-2-enylanilino)acetamide
SYSTEMATIC NAME: 2-[phenyl(prop-2-enyl)amino]ethanamide
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: C=CCN(CC(=O)N)C1=CC=CC=C1
Structure:
CAS RN: 17563-48-3
CAS Name: butyl-diethyl-iodostannane
OPENEYE Name: butyl-diethyl-iodo-stannane
IUPAC Name: butyl-diethyl-iodostannane
SYSTEMATIC NAME: butyl-diethyl-iodanyl-stannane
MOLECULAR FORMULA: C8H19ISn
MOLECULAR WEIGHT: 360.85093
SMILES: CCCC[Sn](CC)(CC)I
Structure:
CAS RN: 17551-24-5
CAS Name: N-ethyl-N-methyl-1-phenyl-4-pyrazolamine
OPENEYE Name: N-ethyl-N-methyl-1-phenyl-pyrazol-4-amine
IUPAC Name: N-ethyl-N-methyl-1-phenylpyrazol-4-amine
SYSTEMATIC NAME: N-ethyl-N-methyl-1-phenyl-pyrazol-4-amine
MOLECULAR FORMULA: C12H15N3
MOLECULAR WEIGHT: 201.2676
SMILES: CCN(C)C1=CN(N=C1)C2=CC=CC=C2
Structure:
CAS RN: 17551-16-5
CAS Name: 1-phenyl-N-propan-2-yl-4-pyrazolamine
OPENEYE Name: N-isopropyl-1-phenyl-pyrazol-4-amine
IUPAC Name: 1-phenyl-N-propan-2-ylpyrazol-4-amine
SYSTEMATIC NAME: 1-phenyl-N-propan-2-yl-pyrazol-4-amine
MOLECULAR FORMULA: C12H15N3
MOLECULAR WEIGHT: 201.2676
SMILES: CC(C)NC1=CN(N=C1)C2=CC=CC=C2
Structure:
CAS RN: 17551-14-3
CAS Name: N-ethyl-1-phenyl-4-pyrazolamine
OPENEYE Name: N-ethyl-1-phenyl-pyrazol-4-amine
IUPAC Name: N-ethyl-1-phenylpyrazol-4-amine
SYSTEMATIC NAME: N-ethyl-1-phenyl-pyrazol-4-amine
MOLECULAR FORMULA: C11H13N3
MOLECULAR WEIGHT: 187.24102
SMILES: CCNC1=CN(N=C1)C2=CC=CC=C2
Structure:
CAS RN: 17550-93-5
CAS Name: 1-[4-(dimethylamino)phenyl]-N,N-dimethyl-4-pyrazolamine hydrochloride
OPENEYE Name: 1-[4-(dimethylamino)phenyl]-N,N-dimethyl-pyrazol-4-amine hydrochloride
IUPAC Name: 1-[4-(dimethylamino)phenyl]-N,N-dimethylpyrazol-4-amine hydrochloride
SYSTEMATIC NAME: 1-[4-(dimethylamino)phenyl]-N,N-dimethyl-pyrazol-4-amine hydrochloride
MOLECULAR FORMULA: C13H19ClN4
MOLECULAR WEIGHT: 266.76976
SMILES: CN(C)C1=CC=C(C=C1)N2C=C(C=N2)N(C)C.Cl
Structure:
CAS RN: 17538-83-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H27Cl2N
MOLECULAR WEIGHT: 328.31968
SMILES: CN(C)CCCC1=C2C=C(C=CC2C3CCCC1C3)Cl.Cl
Structure:
CAS RN: 17538-69-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H28ClN
MOLECULAR WEIGHT: 293.87462
SMILES: CN(C)CCCC1=C2C=CC=CC2C3CCCC1C3.Cl
Structure:
CAS RN: 17533-69-6
CAS Name: 2-(2,3,4,5,6-pentamethylphenyl)indene-1,3-dione
OPENEYE Name: 2-(2,3,4,5,6-pentamethylphenyl)indane-1,3-dione
IUPAC Name: 2-(2,3,4,5,6-pentamethylphenyl)indene-1,3-dione
SYSTEMATIC NAME: 2-(2,3,4,5,6-pentamethylphenyl)indene-1,3-dione
MOLECULAR FORMULA: C20H20O2
MOLECULAR WEIGHT: 292.3716
SMILES: CC1=C(C(=C(C(=C1C)C)C2C(=O)C3=CC=CC=C3C2=O)C)C
Structure:
CAS RN: 17532-01-3
CAS Name: 3-(1-azepanyl)-2-methyl-1,1-bis(3-thiophenyl)-1-propanol hydrobromide
OPENEYE Name: 3-(azepan-1-yl)-2-methyl-1,1-bis(3-thienyl)propan-1-ol hydrobromide
IUPAC Name: 3-(azepan-1-yl)-2-methyl-1,1-di(thiophen-3-yl)propan-1-ol hydrobromide
SYSTEMATIC NAME: 3-(azepan-1-yl)-2-methyl-1,1-di(thiophen-3-yl)propan-1-ol hydrobromide
MOLECULAR FORMULA: C18H26BrNOS2
MOLECULAR WEIGHT: 416.43914
SMILES: CC(CN1CCCCCC1)C(C2=CSC=C2)(C3=CSC=C3)O.Br
Structure:
CAS RN: 17531-98-5
CAS Name: 2-methyl-3-(1-piperidinyl)-1,1-bis(3-thiophenyl)-1-propanol hydrobromide
OPENEYE Name: 2-methyl-3-(1-piperidyl)-1,1-bis(3-thienyl)propan-1-ol hydrobromide
IUPAC Name: 2-methyl-3-piperidin-1-yl-1,1-di(thiophen-3-yl)propan-1-ol hydrobromide
SYSTEMATIC NAME: 2-methyl-3-piperidin-1-yl-1,1-di(thiophen-3-yl)propan-1-ol hydrobromide
MOLECULAR FORMULA: C17H24BrNOS2
MOLECULAR WEIGHT: 402.41256
SMILES: CC(CN1CCCCC1)C(C2=CSC=C2)(C3=CSC=C3)O.Br
Structure:
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