CAS RN: 76691-06-0
CAS Name: (Z)-1-(3-fluorophenyl)-3-(1-piperidinyl)-2-buten-1-one
OPENEYE Name: (Z)-1-(3-fluorophenyl)-3-(1-piperidyl)but-2-en-1-one
IUPAC Name: (Z)-1-(3-fluorophenyl)-3-piperidin-1-ylbut-2-en-1-one
SYSTEMATIC NAME: (Z)-1-(3-fluorophenyl)-3-piperidin-1-yl-but-2-en-1-one
MOLECULAR FORMULA: C15H18FNO
MOLECULAR WEIGHT: 247.307923
SMILES: C/C(=C/C(=O)C1=CC(=CC=C1)F)/N2CCCCC2
Structure:
CAS RN: 76691-05-9
CAS Name: (E)-1-(3-fluorophenyl)-3-(4-phenyl-1-piperazinyl)-2-buten-1-one
OPENEYE Name: (E)-1-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)but-2-en-1-one
IUPAC Name: (E)-1-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)but-2-en-1-one
SYSTEMATIC NAME: (E)-1-(3-fluorophenyl)-3-(4-phenylpiperazin-1-yl)but-2-en-1-one
MOLECULAR FORMULA: C20H21FN2O
MOLECULAR WEIGHT: 324.391943
SMILES: C/C(=C\C(=O)C1=CC(=CC=C1)F)/N2CCN(CC2)C3=CC=CC=C3
Structure:
CAS RN: 76691-04-8
CAS Name: (E)-1-phenyl-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-2-buten-1-one
OPENEYE Name: (E)-1-phenyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one
IUPAC Name: (E)-1-phenyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one
SYSTEMATIC NAME: (E)-1-phenyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one
MOLECULAR FORMULA: C21H21F3N2O
MOLECULAR WEIGHT: 374.39945
SMILES: C/C(=C\C(=O)C1=CC=CC=C1)/N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
Structure:
CAS RN: 76691-02-6
CAS Name: (E)-1-phenyl-3-(4-phenyl-1-piperazinyl)-2-buten-1-one
OPENEYE Name: (E)-1-phenyl-3-(4-phenylpiperazin-1-yl)but-2-en-1-one
IUPAC Name: (E)-1-phenyl-3-(4-phenylpiperazin-1-yl)but-2-en-1-one
SYSTEMATIC NAME: (E)-1-phenyl-3-(4-phenylpiperazin-1-yl)but-2-en-1-one
MOLECULAR FORMULA: C20H22N2O
MOLECULAR WEIGHT: 306.40148
SMILES: C/C(=C\C(=O)C1=CC=CC=C1)/N2CCN(CC2)C3=CC=CC=C3
Structure:
CAS RN: 76605-42-0
CAS Name: (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
OPENEYE Name: (5Z)-5-[[3-(trifluoromethyl)phenyl]methylene]imidazolidine-2,4-dione
IUPAC Name: (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
SYSTEMATIC NAME: (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
MOLECULAR FORMULA: C11H7F3N2O2
MOLECULAR WEIGHT: 256.18069
SMILES: C1=CC(=CC(=C1)C(F)(F)F)/C=C\2/C(=O)NC(=O)N2
Structure:
CAS RN: 76362-13-5
CAS Name: (E)-2-butenedioic acid; [1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidinyl]-(4-methoxyphenyl)methanone
OPENEYE Name: [1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]-(4-methoxyphenyl)methanone; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; [1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; [1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C26H29NO8
MOLECULAR WEIGHT: 483.51036
SMILES: COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC3COC4=CC=CC=C4O3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 76352-21-1
CAS Name: 4-amino-5-bromo-2-ethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide; (E)-2-butenedioic acid
OPENEYE Name: 4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-ethoxy-benzamide; fumaric acid
IUPAC Name: 4-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-ethoxybenzamide; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 4-azanyl-5-bromanyl-2-ethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C27H32BrN3O6
MOLECULAR WEIGHT: 574.46348
SMILES: CCOC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)Br)N.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 76352-03-9
CAS Name: 4-amino-5-bromo-N-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide; (E)-2-butenedioic acid
OPENEYE Name: 4-amino-5-bromo-N-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxy-benzamide; fumaric acid
IUPAC Name: 4-amino-5-bromo-N-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 4-azanyl-5-bromanyl-N-[8-(cyclohexylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxy-benzamide; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C26H36BrN3O6
MOLECULAR WEIGHT: 566.48454
SMILES: COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4CCCCC4)Br)N.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 76351-83-2
CAS Name: 2-amino-4-ethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-pyrimidinecarboxamide; (E)-2-butenedioic acid
OPENEYE Name: 2-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-ethoxy-pyrimidine-5-carboxamide; fumaric acid
IUPAC Name: 2-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-ethoxypyrimidine-5-carboxamide; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 2-azanyl-4-ethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C25H31N5O6
MOLECULAR WEIGHT: 497.54354
SMILES: CCOC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)N.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 76263-68-8
CAS Name: (3E)-6-methoxy-1-(4-methylphenyl)sulfonyl-3-(phenylmethylene)-2H-quinolin-4-one
OPENEYE Name: (3E)-3-benzylidene-6-methoxy-1-(p-tolylsulfonyl)-2H-quinolin-4-one
IUPAC Name: (3E)-3-benzylidene-6-methoxy-1-(4-methylphenyl)sulfonyl-2H-quinolin-4-one
SYSTEMATIC NAME: (3E)-6-methoxy-1-(4-methylphenyl)sulfonyl-3-(phenylmethylidene)-2H-quinolin-4-one
MOLECULAR FORMULA: C24H21NO4S
MOLECULAR WEIGHT: 419.49284
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\C3=CC=CC=C3)/C(=O)C4=C2C=CC(=C4)OC
Structure:
CAS RN: 76263-65-5
CAS Name: (3E)-1-(4-methylphenyl)sulfonyl-3-(phenylmethylene)-2H-quinolin-4-one
OPENEYE Name: (3E)-3-benzylidene-1-(p-tolylsulfonyl)-2H-quinolin-4-one
IUPAC Name: (3E)-3-benzylidene-1-(4-methylphenyl)sulfonyl-2H-quinolin-4-one
SYSTEMATIC NAME: (3E)-1-(4-methylphenyl)sulfonyl-3-(phenylmethylidene)-2H-quinolin-4-one
MOLECULAR FORMULA: C23H19NO3S
MOLECULAR WEIGHT: 389.46686
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\C3=CC=CC=C3)/C(=O)C4=CC=CC=C42
Structure:
CAS RN: 76239-39-9
CAS Name: 3-(2H-tetrazol-5-yl)-8-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]-1-benzopyran-2-one
OPENEYE Name: 3-(2H-tetrazol-5-yl)-8-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
IUPAC Name: 3-(2H-tetrazol-5-yl)-8-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
SYSTEMATIC NAME: 3-(2H-1,2,3,4-tetrazol-5-yl)-8-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
MOLECULAR FORMULA: C25H30N4O3
MOLECULAR WEIGHT: 434.5307
SMILES: CC(=CCC/C(=C/CC/C(=C/COC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3)/C)/C)C
Structure:
CAS RN: 76239-38-8
CAS Name: 8-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-(2H-tetrazol-5-yl)-1-benzopyran-2-one
OPENEYE Name: 8-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-(2H-tetrazol-5-yl)chromen-2-one
IUPAC Name: 8-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-(2H-tetrazol-5-yl)chromen-2-one
SYSTEMATIC NAME: 8-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-(2H-1,2,3,4-tetrazol-5-yl)chromen-2-one
MOLECULAR FORMULA: C20H22N4O3
MOLECULAR WEIGHT: 366.41368
SMILES: CC(=CCC/C(=C/COC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3)/C)C
Structure:
CAS RN: 76023-48-8
CAS Name: (4E,6E,8E,10E,12E,14E,16E)-3-[[4-[(2,6-diamino-1-oxohexyl)amino]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid methy
OPENEYE Name: methyl (4E,6E,8E,10E,12E,14E,16E)-3-[4-(2,6-diaminohexanoylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxyla
IUPAC Name: methyl (4E,6E,8E,10E,12E,14E,16E)-3-[4-(2,6-diaminohexanoylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylate
SYSTEMATIC NAME: methyl (4E,6E,8E,10E,12E,14E,16E)-3-[4-[2,6-bis(azanyl)hexanoylamino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,30,31,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-
MOLECULAR FORMULA: C54H87N3O18
MOLECULAR WEIGHT: 1066.27788
SMILES: CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)OC)OC3C(C(C(C(O3)C)O)NC(=O)C(CCCCN)N)O
Structure:
CAS RN: 75637-33-1
CAS Name: (E)-2-butenedioic acid; N-[4-chloro-2-[(2-chlorophenyl)-oxomethyl]phenyl]-2-[cyclohexyl(methyl)amino]-N-methylacetamide
OPENEYE Name: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[cyclohexyl(methyl)amino]-N-methyl-acetamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[cyclohexyl(methyl)amino]-N-methylacetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-[4-chloranyl-2-(2-chlorophenyl)carbonyl-phenyl]-2-[cyclohexyl(methyl)amino]-N-methyl-ethanamide
MOLECULAR FORMULA: C27H30Cl2N2O6
MOLECULAR WEIGHT: 549.4429
SMILES: CN(CC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C3CCCCC3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 75616-00-1
CAS Name: (E)-2-butenedioic acid; N-[4-chloro-2-[(2-chlorophenyl)-oxomethyl]phenyl]-N-methyl-2-(4-morpholinyl)acetamide
OPENEYE Name: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-morpholino-acetamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-morpholin-4-ylacetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-[4-chloranyl-2-(2-chlorophenyl)carbonyl-phenyl]-N-methyl-2-morpholin-4-yl-ethanamide
MOLECULAR FORMULA: C24H24Cl2N2O7
MOLECULAR WEIGHT: 523.36256
SMILES: CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CN3CCOCC3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 75615-98-4
CAS Name: (E)-2-butenedioic acid; N-[4-chloro-2-[(2-chlorophenyl)-oxomethyl]phenyl]-2-(cyclohexylamino)-N-methylacetamide
OPENEYE Name: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclohexylamino)-N-methyl-acetamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(cyclohexylamino)-N-methylacetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-[4-chloranyl-2-(2-chlorophenyl)carbonyl-phenyl]-2-(cyclohexylamino)-N-methyl-ethanamide
MOLECULAR FORMULA: C26H28Cl2N2O6
MOLECULAR WEIGHT: 535.41632
SMILES: CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl)C(=O)CNC3CCCCC3.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 75606-69-8
CAS Name: 2-[(E)-hept-3-en-6-ynyl]-2-methylthiazolidine
OPENEYE Name: 2-[(E)-hept-3-en-6-ynyl]-2-methyl-thiazolidine
IUPAC Name: 2-[(E)-hept-3-en-6-ynyl]-2-methyl-1,3-thiazolidine
SYSTEMATIC NAME: 2-[(E)-hept-3-en-6-ynyl]-2-methyl-1,3-thiazolidine
MOLECULAR FORMULA: C11H17NS
MOLECULAR WEIGHT: 195.32438
SMILES: CC1(NCCS1)CC/C=C/CC#C
Structure:
CAS RN: 75606-68-7
CAS Name: 2-[(3E)-hepta-3,6-dienyl]-2-methylthiazolidine
OPENEYE Name: 2-[(3E)-hepta-3,6-dienyl]-2-methyl-thiazolidine
IUPAC Name: 2-[(3E)-hepta-3,6-dienyl]-2-methyl-1,3-thiazolidine
SYSTEMATIC NAME: 2-[(3E)-hepta-3,6-dienyl]-2-methyl-1,3-thiazolidine
MOLECULAR FORMULA: C11H19NS
MOLECULAR WEIGHT: 197.34026
SMILES: CC1(NCCS1)CC/C=C/CC=C
Structure:
CAS RN: 75606-67-6
CAS Name: 2-[(E)-hept-3-enyl]-2-methylthiazolidine
OPENEYE Name: 2-[(E)-hept-3-enyl]-2-methyl-thiazolidine
IUPAC Name: 2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine
SYSTEMATIC NAME: 2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine
MOLECULAR FORMULA: C11H21NS
MOLECULAR WEIGHT: 199.35614
SMILES: CCC/C=C/CCC1(NCCS1)C
Structure:
CAS RN: 75606-64-3
CAS Name: 2-[(3E)-hexa-3,5-dienyl]-2-methylthiazolidine
OPENEYE Name: 2-[(3E)-hexa-3,5-dienyl]-2-methyl-thiazolidine
IUPAC Name: 2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine
SYSTEMATIC NAME: 2-[(3E)-hexa-3,5-dienyl]-2-methyl-1,3-thiazolidine
MOLECULAR FORMULA: C10H17NS
MOLECULAR WEIGHT: 183.31368
SMILES: CC1(NCCS1)CC/C=C/C=C
Structure:
CAS RN: 75606-57-4
CAS Name: 2-methyl-2-[(E)-pent-3-enyl]thiazolidine
OPENEYE Name: 2-methyl-2-[(E)-pent-3-enyl]thiazolidine
IUPAC Name: 2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine
SYSTEMATIC NAME: 2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine
MOLECULAR FORMULA: C9H17NS
MOLECULAR WEIGHT: 171.30298
SMILES: C/C=C/CCC1(NCCS1)C
Structure:
CAS RN: 75606-52-9
CAS Name: 2-methyl-2-[(E)-4-phenylbut-3-enyl]thiazolidine
OPENEYE Name: 2-methyl-2-[(E)-4-phenylbut-3-enyl]thiazolidine
IUPAC Name: 2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine
SYSTEMATIC NAME: 2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine
MOLECULAR FORMULA: C14H19NS
MOLECULAR WEIGHT: 233.37236
SMILES: CC1(NCCS1)CC/C=C/C2=CC=CC=C2
Structure:
CAS RN: 75606-39-2
CAS Name: 2-[(E)-pent-3-enyl]thiazolidine
OPENEYE Name: 2-[(E)-pent-3-enyl]thiazolidine
IUPAC Name: 2-[(E)-pent-3-enyl]-1,3-thiazolidine
SYSTEMATIC NAME: 2-[(E)-pent-3-enyl]-1,3-thiazolidine
MOLECULAR FORMULA: C8H15NS
MOLECULAR WEIGHT: 157.2764
SMILES: C/C=C/CCC1NCCS1
Structure:
CAS RN: 75606-35-8
CAS Name: 2-[[(E)-hex-2-en-4-ynyl]amino]ethanethiol
OPENEYE Name: 2-[[(E)-hex-2-en-4-ynyl]amino]ethanethiol
IUPAC Name: 2-[[(E)-hex-2-en-4-ynyl]amino]ethanethiol
SYSTEMATIC NAME: 2-[[(E)-hex-2-en-4-ynyl]amino]ethanethiol
MOLECULAR FORMULA: C8H13NS
MOLECULAR WEIGHT: 155.26052
SMILES: CC#C/C=C/CNCCS
Structure:
CAS RN: 75606-34-7
CAS Name: 2-[[(2E)-hexa-2,5-dienyl]amino]ethanethiol
OPENEYE Name: 2-[[(2E)-hexa-2,5-dienyl]amino]ethanethiol
IUPAC Name: 2-[[(2E)-hexa-2,5-dienyl]amino]ethanethiol
SYSTEMATIC NAME: 2-[[(2E)-hexa-2,5-dienyl]amino]ethanethiol
MOLECULAR FORMULA: C8H15NS
MOLECULAR WEIGHT: 157.2764
SMILES: C=CC/C=C/CNCCS
Structure:
CAS RN: 75606-32-5
CAS Name: 2-[[(E)-3-phenylprop-2-enyl]amino]ethanethiol
OPENEYE Name: 2-[[(E)-cinnamyl]amino]ethanethiol
IUPAC Name: 2-[[(E)-3-phenylprop-2-enyl]amino]ethanethiol
SYSTEMATIC NAME: 2-[[(E)-3-phenylprop-2-enyl]amino]ethanethiol
MOLECULAR FORMULA: C11H15NS
MOLECULAR WEIGHT: 193.3085
SMILES: C1=CC=C(C=C1)/C=C/CNCCS
Structure:
CAS RN: 75536-07-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H23N5O6
MOLECULAR WEIGHT: 393.39442
SMILES: CCOC(=O)N1C2CCCC1C3=CC(=NN=C3C2)NN.C(=C/C(=O)O)\C(=O)O
Structure:
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