CAS RN: 62522-88-7
CAS Name: [2-(hydroxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methanol
OPENEYE Name: [2-(hydroxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methanol
IUPAC Name: [2-(hydroxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methanol
SYSTEMATIC NAME: [2-(hydroxymethyl)-3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methanol
MOLECULAR FORMULA: C10H12F3NO2
MOLECULAR WEIGHT: 235.20299
SMILES: C1CC2=C(C(=C(N2C1)C(F)(F)F)CO)CO
Structure:
CAS RN: 39083-99-3
CAS Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-hydroxybenzamide
OPENEYE Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-hydroxy-benzamide
IUPAC Name: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-hydroxybenzamide
SYSTEMATIC NAME: N-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C16H14N2O2S
MOLECULAR WEIGHT: 298.35956
SMILES: CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=CC=C3O
Structure:
CAS RN: 77930-46-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H28
MOLECULAR WEIGHT: 388.54332
SMILES: CCCC1=C2CC3=C(C2=C(C4=C1C5=CC=CC6=C5C4=CC=C6)CCC)C=CC(=C3)C
Structure:
CAS RN: 77930-45-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H24
MOLECULAR WEIGHT: 360.49016
SMILES: CCC1=C2CC3=C(C2=C(C4=C1C5=CC=CC6=C5C4=CC=C6)CC)C=CC(=C3)C
Structure:
CAS RN: 64465-20-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H22
MOLECULAR WEIGHT: 346.46358
SMILES: CCC1=C2CC3=CC=CC=C3C2=C(C4=C1C5=CC=CC6=C5C4=CC=C6)CC
Structure:
CAS RN: 77930-44-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H20
MOLECULAR WEIGHT: 332.437
SMILES: CC1=CC2=C(C=C1)C3=C(C4=C(C(=C3C2)C)C5=CC=CC6=C5C4=CC=C6)C
Structure:
CAS RN: 28622-12-0
CAS Name: 8-(2,3-dihydro-1H-inden-5-yl)-7,9,10-triphenylfluoranthene
OPENEYE Name: 8-indan-5-yl-7,9,10-triphenyl-fluoranthene
IUPAC Name: 8-(2,3-dihydro-1H-inden-5-yl)-7,9,10-triphenylfluoranthene
SYSTEMATIC NAME: 8-(2,3-dihydro-1H-inden-5-yl)-7,9,10-triphenyl-fluoranthene
MOLECULAR FORMULA: C43H30
MOLECULAR WEIGHT: 546.6983
SMILES: C1CC2=C(C1)C=C(C=C2)C3=C(C4=C(C5=CC=CC6=C5C4=CC=C6)C(=C3C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9
Structure:
CAS RN: 67396-69-4
CAS Name: 7,8,10-triphenyl-9-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoranthene
OPENEYE Name: 7,8,10-triphenyl-9-tetralin-6-yl-fluoranthene
IUPAC Name: 7,8,10-triphenyl-9-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoranthene
SYSTEMATIC NAME: 7,8,10-triphenyl-9-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoranthene
MOLECULAR FORMULA: C44H32
MOLECULAR WEIGHT: 560.72488
SMILES: C1CCC2=C(C1)C=CC(=C2)C3=C(C4=C(C5=CC=CC6=C5C4=CC=C6)C(=C3C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9
Structure:
CAS RN: 23934-47-6
CAS Name: 1-(4-ethylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
OPENEYE Name: 1-(4-ethylphenyl)-2,3,4,5,6-pentakis-phenyl-benzene
IUPAC Name: 1-(4-ethylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
SYSTEMATIC NAME: 1-(4-ethylphenyl)-2,3,4,5,6-pentakis-phenyl-benzene
MOLECULAR FORMULA: C44H34
MOLECULAR WEIGHT: 562.74076
SMILES: CCC1=CC=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
Structure:
CAS RN: 65614-90-6
CAS Name: 6-(2,5-dimethyl-3,4,6-triphenylphenyl)-1,2,3,4-tetrahydronaphthalene
OPENEYE Name: 6-(2,5-dimethyl-3,4,6-triphenyl-phenyl)tetralin
IUPAC Name: 6-(2,5-dimethyl-3,4,6-triphenylphenyl)-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 6-(2,5-dimethyl-3,4,6-triphenyl-phenyl)-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C36H32
MOLECULAR WEIGHT: 464.63928
SMILES: CC1=C(C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C)C4=CC5=C(CCCC5)C=C4)C6=CC=CC=C6
Structure:
CAS RN: 65614-87-1
CAS Name: 1-(3,4-dimethylphenyl)-2,5-dimethyl-3,4,6-triphenylbenzene
OPENEYE Name: 1-(3,4-dimethylphenyl)-2,5-dimethyl-3,4,6-triphenyl-benzene
IUPAC Name: 1-(3,4-dimethylphenyl)-2,5-dimethyl-3,4,6-triphenylbenzene
SYSTEMATIC NAME: 1-(3,4-dimethylphenyl)-2,5-dimethyl-3,4,6-triphenyl-benzene
MOLECULAR FORMULA: C34H30
MOLECULAR WEIGHT: 438.602
SMILES: CC1=C(C=C(C=C1)C2=C(C(=C(C(=C2C3=CC=CC=C3)C)C4=CC=CC=C4)C5=CC=CC=C5)C)C
Structure:
CAS RN: 64465-16-3
CAS Name: 7,12-dibutyl-8-methylbenzo[k]fluoranthene
OPENEYE Name: 7,12-dibutyl-8-methyl-benzo[k]fluoranthene
IUPAC Name: 7,12-dibutyl-8-methylbenzo[k]fluoranthene
SYSTEMATIC NAME: 7,12-dibutyl-8-methyl-benzo[k]fluoranthene
MOLECULAR FORMULA: C29H30
MOLECULAR WEIGHT: 378.5485
SMILES: CCCCC1=C2C3=CC=CC4=C3C(=CC=C4)C2=C(C5=C1C=CC=C5C)CCCC
Structure:
CAS RN: 65648-90-0
CAS Name: 5-(2,3,6-triphenylphenyl)-2,3-dihydro-1H-indene
OPENEYE Name: 5-(2,3,6-triphenylphenyl)indane
IUPAC Name: 5-(2,3,6-triphenylphenyl)-2,3-dihydro-1H-indene
SYSTEMATIC NAME: 5-(2,3,6-triphenylphenyl)-2,3-dihydro-1H-indene
MOLECULAR FORMULA: C33H26
MOLECULAR WEIGHT: 422.55954
SMILES: C1CC2=C(C1)C=C(C=C2)C3=C(C=CC(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 53033-67-3
CAS Name: 2-chloro-5,6-dimethoxy-3-(octadecylthio)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-chloro-5,6-dimethoxy-3-octadecylsulfanyl-1,4-benzoquinone
IUPAC Name: 2-chloro-5,6-dimethoxy-3-octadecylsulfanylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-5,6-dimethoxy-3-octadecylsulfanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C26H43ClO4S
MOLECULAR WEIGHT: 487.13522
SMILES: CCCCCCCCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl
Structure:
CAS RN: 61948-35-4
CAS Name: N-[4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5,6-dimethyl-3-pyridinyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[4-(2-benzyloxy-3,4-dimethoxy-phenyl)-5,6-dimethyl-3-pyridyl]carbamate
IUPAC Name: methyl N-[4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5,6-dimethylpyridin-3-yl]carbamate
SYSTEMATIC NAME: methyl N-[4-(3,4-dimethoxy-2-phenylmethoxy-phenyl)-5,6-dimethyl-pyridin-3-yl]carbamate
MOLECULAR FORMULA: C24H26N2O5
MOLECULAR WEIGHT: 422.47364
SMILES: CC1=C(C(=CN=C1C)NC(=O)OC)C2=C(C(=C(C=C2)OC)OC)OCC3=CC=CC=C3
Structure:
CAS RN: 5212-46-4
CAS Name: 4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5,6-dimethyl-3-pyridinecarboxamide
OPENEYE Name: 4-(2-benzyloxy-3,4-dimethoxy-phenyl)-5,6-dimethyl-pyridine-3-carboxamide
IUPAC Name: 4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5,6-dimethylpyridine-3-carboxamide
SYSTEMATIC NAME: 4-(3,4-dimethoxy-2-phenylmethoxy-phenyl)-5,6-dimethyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C23H24N2O4
MOLECULAR WEIGHT: 392.44766
SMILES: CC1=C(C(=CN=C1C)C(=O)N)C2=C(C(=C(C=C2)OC)OC)OCC3=CC=CC=C3
Structure:
CAS RN: 61948-34-3
CAS Name: 4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5,6-dimethyl-3-pyridinecarboxamide
OPENEYE Name: 4-(2-benzyloxy-3,4-dimethoxy-phenyl)-5,6-dimethyl-pyridine-3-carboxamide
IUPAC Name: 4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-5,6-dimethylpyridine-3-carboxamide
SYSTEMATIC NAME: 4-(3,4-dimethoxy-2-phenylmethoxy-phenyl)-5,6-dimethyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C23H24N2O4
MOLECULAR WEIGHT: 392.44766
SMILES: CC1=C(C(=CN=C1C)C(=O)N)C2=C(C(=C(C=C2)OC)OC)OCC3=CC=CC=C3
Structure:
CAS RN: 63017-86-7
CAS Name: 4-bromo-1-methyl-2-nitronaphthalene
OPENEYE Name: 4-bromo-1-methyl-2-nitro-naphthalene
IUPAC Name: 4-bromo-1-methyl-2-nitronaphthalene
SYSTEMATIC NAME: 4-bromanyl-1-methyl-2-nitro-naphthalene
MOLECULAR FORMULA: C11H8BrNO2
MOLECULAR WEIGHT: 266.09072
SMILES: CC1=C(C=C(C2=CC=CC=C12)Br)[N+](=O)[O-]
Structure:
CAS RN: 61766-89-0
CAS Name: 3-(diethylamino)-4-methyl-1,1-dioxo-4H-1$l^{6},2-benzothiazepin-5-one
OPENEYE Name: 3-(diethylamino)-4-methyl-1,1-dioxo-4H-1$l^{6},2-benzothiazepin-5-one
IUPAC Name: 3-(diethylamino)-4-methyl-1,1-dioxo-4H-1$l^{6},2-benzothiazepin-5-one
SYSTEMATIC NAME: 3-(diethylamino)-4-methyl-1,1-bis(oxidanylidene)-4H-1$l^{6},2-benzothiazepin-5-one
MOLECULAR FORMULA: C14H18N2O3S
MOLECULAR WEIGHT: 294.36932
SMILES: CCN(CC)C1=NS(=O)(=O)C2=CC=CC=C2C(=O)C1C
Structure:
CAS RN: 60404-96-8
CAS Name: 2,3,5-trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione
OPENEYE Name: 2,3,5-trimethyl-5-(2-methylallyl)cyclohex-2-ene-1,4-dione
IUPAC Name: 2,3,5-trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione
SYSTEMATIC NAME: 2,3,5-trimethyl-5-(2-methylprop-2-enyl)cyclohex-2-ene-1,4-dione
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CC1=C(C(=O)C(CC1=O)(C)CC(=C)C)C
Structure:
CAS RN: 60404-95-7
CAS Name: 2,3,5-trimethyl-6-(2-methylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3,5-trimethyl-6-(2-methylallyl)-1,4-benzoquinone
IUPAC Name: 2,3,5-trimethyl-6-(2-methylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3,5-trimethyl-6-(2-methylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: CC1=C(C(=O)C(=C(C1=O)C)CC(=C)C)C
Structure:
CAS RN: 59175-48-3
CAS Name: 1-(2H-tetrazol-5-yl)isoquinoline
OPENEYE Name: 1-(2H-tetrazol-5-yl)isoquinoline
IUPAC Name: 1-(2H-tetrazol-5-yl)isoquinoline
SYSTEMATIC NAME: 1-(2H-1,2,3,4-tetrazol-5-yl)isoquinoline
MOLECULAR FORMULA: C10H7N5
MOLECULAR WEIGHT: 197.19608
SMILES: C1=CC=C2C(=C1)C=CN=C2C3=NNN=N3
Structure:
CAS RN: 67824-29-7
CAS Name: 2-phenyl-4-(2H-tetrazol-5-yl)quinazoline
OPENEYE Name: 2-phenyl-4-(2H-tetrazol-5-yl)quinazoline
IUPAC Name: 2-phenyl-4-(2H-tetrazol-5-yl)quinazoline
SYSTEMATIC NAME: 2-phenyl-4-(2H-1,2,3,4-tetrazol-5-yl)quinazoline
MOLECULAR FORMULA: C15H10N6
MOLECULAR WEIGHT: 274.2801
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)C4=NNN=N4
Structure:
CAS RN: 51449-85-5
CAS Name: 2-methyl-6-(2H-tetrazol-5-yl)pyridine
OPENEYE Name: 2-methyl-6-(2H-tetrazol-5-yl)pyridine
IUPAC Name: 2-methyl-6-(2H-tetrazol-5-yl)pyridine
SYSTEMATIC NAME: 2-methyl-6-(2H-1,2,3,4-tetrazol-5-yl)pyridine
MOLECULAR FORMULA: C7H7N5
MOLECULAR WEIGHT: 161.16398
SMILES: CC1=CC=CC(=N1)C2=NNN=N2
Structure:
CAS RN: 78539-93-2
CAS Name: 3-(4-chlorophenyl)triazolo[1,5-a]pyridine
OPENEYE Name: 3-(4-chlorophenyl)triazolo[1,5-a]pyridine
IUPAC Name: 3-(4-chlorophenyl)triazolo[1,5-a]pyridine
SYSTEMATIC NAME: 3-(4-chlorophenyl)-[1,2,3]triazolo[1,5-a]pyridine
MOLECULAR FORMULA: C12H8ClN3
MOLECULAR WEIGHT: 229.66502
SMILES: C1=CC2=C(N=NN2C=C1)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 54856-82-5
CAS Name: 3-methyltriazolo[1,5-a]pyridine
OPENEYE Name: 3-methyltriazolo[1,5-a]pyridine
IUPAC Name: 3-methyltriazolo[1,5-a]pyridine
SYSTEMATIC NAME: 3-methyl-[1,2,3]triazolo[1,5-a]pyridine
MOLECULAR FORMULA: C7H7N3
MOLECULAR WEIGHT: 133.15058
SMILES: CC1=C2C=CC=CN2N=N1
Structure:
CAS RN: 30152-88-6
CAS Name: 5-methoxy-7-methyltetrazolo[1,5-a]pyrimidine
OPENEYE Name: 5-methoxy-7-methyl-tetrazolo[1,5-a]pyrimidine
IUPAC Name: 5-methoxy-7-methyltetrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 5-methoxy-7-methyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C6H7N5O
MOLECULAR WEIGHT: 165.15268
SMILES: CC1=CC(=NC2=NN=NN12)OC
Structure:
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