CAS RN: 521-87-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H21NO5
MOLECULAR WEIGHT: 367.39514
SMILES: CC1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5
Structure:
CAS RN: 4749-31-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22N2O2
MOLECULAR WEIGHT: 334.41158
SMILES: C1COC2CC(=O)N3C4C2C5C1=CN6CCC4(C6C5)C7=CC=CC=C73
Structure:
CAS RN: 60606-95-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H26N2O4
MOLECULAR WEIGHT: 394.46354
SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCCC6=C5)OC
Structure:
CAS RN: 42710-39-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H20O
MOLECULAR WEIGHT: 276.3722
SMILES: C1CC2CC1C3C2OC3(C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 55621-49-3
CAS Name: 1,3-didecylbenzene
OPENEYE Name: 1,3-didecylbenzene
IUPAC Name: 1,3-didecylbenzene
SYSTEMATIC NAME: 1,3-didecylbenzene
MOLECULAR FORMULA: C26H46
MOLECULAR WEIGHT: 358.64344
SMILES: CCCCCCCCCCC1=CC(=CC=C1)CCCCCCCCCC
Structure:
CAS RN: 4494-54-6
CAS Name: 2-phenyl-4H-isoquinoline-1,3-dione
OPENEYE Name: 2-phenyl-4H-isoquinoline-1,3-dione
IUPAC Name: 2-phenyl-4H-isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-phenyl-4H-isoquinoline-1,3-dione
MOLECULAR FORMULA: C15H11NO2
MOLECULAR WEIGHT: 237.25334
SMILES: C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3
Structure:
CAS RN: 2121-66-6
CAS Name: N,N'-bis[(diphenylmethylene)amino]-N,N'-diphenylbutane-1,4-diamine
OPENEYE Name: N,N'-bis(benzhydrylideneamino)-N,N'-diphenyl-butane-1,4-diamine
IUPAC Name: N,N'-bis(benzhydrylideneamino)-N,N'-diphenylbutane-1,4-diamine
SYSTEMATIC NAME: N,N'-bis[(diphenylmethylidene)amino]-N,N'-diphenyl-butane-1,4-diamine
MOLECULAR FORMULA: C42H38N4
MOLECULAR WEIGHT: 598.77792
SMILES: C1=CC=C(C=C1)C(=NN(CCCCN(C2=CC=CC=C2)N=C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 7252-56-4
CAS Name: 1,3,4,5-tetraphenylpyrazole
OPENEYE Name: 1,3,4,5-tetraphenylpyrazole
IUPAC Name: 1,3,4,5-tetraphenylpyrazole
SYSTEMATIC NAME: 1,3,4,5-tetraphenylpyrazole
MOLECULAR FORMULA: C27H20N2
MOLECULAR WEIGHT: 372.4611
SMILES: C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 23563-79-3
CAS Name: 5-anilino-1,5-diphenylpentane-1,3-dione
OPENEYE Name: 5-anilino-1,5-diphenyl-pentane-1,3-dione
IUPAC Name: 5-anilino-1,5-diphenylpentane-1,3-dione
SYSTEMATIC NAME: 1,5-diphenyl-5-phenylazanyl-pentane-1,3-dione
MOLECULAR FORMULA: C23H21NO2
MOLECULAR WEIGHT: 343.41834
SMILES: C1=CC=C(C=C1)C(CC(=O)CC(=O)C2=CC=CC=C2)NC3=CC=CC=C3
Structure:
CAS RN: 33544-06-8
CAS Name: carbonic acid [3-(2-methoxycarbonyloxyethyl)-2,2-dimethylcyclobutyl]methyl methyl ester
OPENEYE Name: [3-(2-methoxycarbonyloxyethyl)-2,2-dimethyl-cyclobutyl]methyl methyl carbonate
IUPAC Name: [3-(2-methoxycarbonyloxyethyl)-2,2-dimethylcyclobutyl]methyl methyl carbonate
SYSTEMATIC NAME: [3-(2-methoxycarbonyloxyethyl)-2,2-dimethyl-cyclobutyl]methyl methyl carbonate
MOLECULAR FORMULA: C13H22O6
MOLECULAR WEIGHT: 274.31018
SMILES: CC1(C(CC1COC(=O)OC)CCOC(=O)OC)C
Structure:
CAS RN: 17916-14-2
CAS Name: acetic acid [10-(hydroxymethyl)-13-methyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [10-(hydroxymethyl)-13-methyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [10-(hydroxymethyl)-13-methyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [10-(hydroxymethyl)-13-methyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C21H32O4
MOLECULAR WEIGHT: 348.47638
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4=O)C)CO
Structure:
CAS RN: 59698-66-7
CAS Name: 4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-5-oxazolone
OPENEYE Name: 4-[(2,4-dichlorophenyl)methylene]-2-phenyl-oxazol-5-one
IUPAC Name: 4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C16H9Cl2NO2
MOLECULAR WEIGHT: 318.15416
SMILES: C1=CC=C(C=C1)C2=NC(=CC3=C(C=C(C=C3)Cl)Cl)C(=O)O2
Structure:
CAS RN: 22158-45-8
CAS Name: 4-hydroxy-3-(tridecylamino)naphthalene-1,2-dione
OPENEYE Name: 4-hydroxy-3-(tridecylamino)naphthalene-1,2-dione
IUPAC Name: 4-hydroxy-3-(tridecylamino)naphthalene-1,2-dione
SYSTEMATIC NAME: 4-oxidanyl-3-(tridecylamino)naphthalene-1,2-dione
MOLECULAR FORMULA: C23H33NO3
MOLECULAR WEIGHT: 371.51302
SMILES: CCCCCCCCCCCCCNC1=C(C2=CC=CC=C2C(=O)C1=O)O
Structure:
CAS RN: 22158-00-5
CAS Name: N-(1-hydroxy-3,4-dioxo-2-naphthalenyl)tridecanamide
OPENEYE Name: N-(1-hydroxy-3,4-dioxo-2-naphthyl)tridecanamide
IUPAC Name: N-(1-hydroxy-3,4-dioxonaphthalen-2-yl)tridecanamide
SYSTEMATIC NAME: N-[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]tridecanamide
MOLECULAR FORMULA: C23H31NO4
MOLECULAR WEIGHT: 385.49654
SMILES: CCCCCCCCCCCCC(=O)NC1=C(C2=CC=CC=C2C(=O)C1=O)O
Structure:
CAS RN: 4560-41-2
CAS Name: N-butyl-N-nitrosoacetamide
OPENEYE Name: N-butyl-N-nitroso-acetamide
IUPAC Name: N-butyl-N-nitrosoacetamide
SYSTEMATIC NAME: N-butyl-N-nitroso-ethanamide
MOLECULAR FORMULA: C6H12N2O2
MOLECULAR WEIGHT: 144.17168
SMILES: CCCCN(C(=O)C)N=O
Structure:
CAS RN: 33124-25-3
CAS Name: N-butan-2-yl-N-nitrosocarbamic acid ethyl ester
OPENEYE Name: ethyl N-nitroso-N-sec-butyl-carbamate
IUPAC Name: ethyl N-butan-2-yl-N-nitrosocarbamate
SYSTEMATIC NAME: ethyl N-butan-2-yl-N-nitroso-carbamate
MOLECULAR FORMULA: C7H14N2O3
MOLECULAR WEIGHT: 174.19766
SMILES: CCC(C)N(C(=O)OCC)N=O
Structure:
CAS RN: 17232-86-9
CAS Name: N,N-bis[4-(dimethylamino)butyl]-2-hexadecenamide
OPENEYE Name: N,N-bis[4-(dimethylamino)butyl]hexadec-2-enamide
IUPAC Name: N,N-bis[4-(dimethylamino)butyl]hexadec-2-enamide
SYSTEMATIC NAME: N,N-bis[4-(dimethylamino)butyl]hexadec-2-enamide
MOLECULAR FORMULA: C28H57N3O
MOLECULAR WEIGHT: 451.77168
SMILES: CCCCCCCCCCCCCC=CC(=O)N(CCCCN(C)C)CCCCN(C)C
Structure:
CAS RN: 17232-85-8
CAS Name: N,N-bis[4-(dimethylamino)butyl]hexadecanamide
OPENEYE Name: N,N-bis[4-(dimethylamino)butyl]hexadecanamide
IUPAC Name: N,N-bis[4-(dimethylamino)butyl]hexadecanamide
SYSTEMATIC NAME: N,N-bis[4-(dimethylamino)butyl]hexadecanamide
MOLECULAR FORMULA: C28H59N3O
MOLECULAR WEIGHT: 453.78756
SMILES: CCCCCCCCCCCCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C
Structure:
CAS RN: 479-37-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N2O6
MOLECULAR WEIGHT: 594.69672
SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
Structure:
CAS RN: 16987-41-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24N4O5
MOLECULAR WEIGHT: 376.40696
SMILES: CCCNC1=C(C(=O)C2=C(C1=O)[C@@H]([C@]3(N2C[C@@H]4[C@H]3N4)OC)COC(=O)N)C
Structure:
CAS RN: 16910-79-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24N4O5
MOLECULAR WEIGHT: 376.40696
SMILES: CCCNC1=C(C(=O)C2=C(C1=O)[C@@H]([C@]3(N2C[C@@H]4[C@H]3N4)OC)COC(=O)N)C
Structure:
CAS RN: 80268-85-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18N4O5
MOLECULAR WEIGHT: 334.32722
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)O)N4C)N
Structure:
CAS RN: 79026-43-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18N4O5
MOLECULAR WEIGHT: 334.32722
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)O)N4C)N
Structure:
CAS RN: 2847-91-8
CAS Name: (4-chlorophenyl)-(4-phenoxyphenyl)methanone
OPENEYE Name: (4-chlorophenyl)-(4-phenoxyphenyl)methanone
IUPAC Name: (4-chlorophenyl)-(4-phenoxyphenyl)methanone
SYSTEMATIC NAME: (4-chlorophenyl)-(4-phenoxyphenyl)methanone
MOLECULAR FORMULA: C19H13ClO2
MOLECULAR WEIGHT: 308.75832
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 37241-33-1
CAS Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl ester
OPENEYE Name: [2,2-dimethyl-5-(p-tolylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
IUPAC Name: [2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H26O8S2
MOLECULAR WEIGHT: 470.55634
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2C(OC(O2)(C)C)COS(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 37002-45-2
CAS Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl ester
OPENEYE Name: [2,2-dimethyl-5-(p-tolylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
IUPAC Name: [2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H26O8S2
MOLECULAR WEIGHT: 470.55634
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2C(OC(O2)(C)C)COS(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 51064-65-4
CAS Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl ester
OPENEYE Name: [2,2-dimethyl-5-(p-tolylsulfonyloxymethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
IUPAC Name: [2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H26O8S2
MOLECULAR WEIGHT: 470.55634
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2C(OC(O2)(C)C)COS(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 50623-73-9
CAS Name: 4-methylbenzenesulfonic acid [2,3-dihydroxy-4-(4-methylphenyl)sulfonyloxybutyl] ester
OPENEYE Name: [2,3-dihydroxy-4-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate
IUPAC Name: [2,3-dihydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [4-(4-methylphenyl)sulfonyloxy-2,3-bis(oxidanyl)butyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C18H22O8S2
MOLECULAR WEIGHT: 430.49248
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(C(COS(=O)(=O)C2=CC=C(C=C2)C)O)O
Structure:
CAS RN: 57495-46-2
CAS Name: 4-methylbenzenesulfonic acid [2,3-dihydroxy-4-(4-methylphenyl)sulfonyloxybutyl] ester
OPENEYE Name: [2,3-dihydroxy-4-(p-tolylsulfonyloxy)butyl] 4-methylbenzenesulfonate
IUPAC Name: [2,3-dihydroxy-4-(4-methylphenyl)sulfonyloxybutyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [4-(4-methylphenyl)sulfonyloxy-2,3-bis(oxidanyl)butyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C18H22O8S2
MOLECULAR WEIGHT: 430.49248
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(C(COS(=O)(=O)C2=CC=C(C=C2)C)O)O
Structure:
CAS RN: 24721-01-5
CAS Name: [4-(6-aminopurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol
OPENEYE Name: [4-(6-aminopurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol
IUPAC Name: [4-(6-aminopurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol
SYSTEMATIC NAME: [4-(6-aminopurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol
MOLECULAR FORMULA: C14H19N5O3
MOLECULAR WEIGHT: 305.33236
SMILES: CC1(OC2C(CC(C2O1)N3C=NC4=C3N=CN=C4N)CO)C
Structure:
CAS RN: 977-79-7
CAS Name: 17-acetyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: 17-acetyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: 17-acetyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 17-ethanoyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C23H32O2
MOLECULAR WEIGHT: 340.49898
SMILES: CC1=CC2C(CCC3(C2CCC3(C)C(=O)C)C)C4(C1=CC(=O)CC4)C
Structure:
CAS RN: 5324-61-8
CAS Name: 1-[2-chloro-1-(4-methylphenyl)ethenyl]-4-methylbenzene
OPENEYE Name: 1-[2-chloro-1-(p-tolyl)vinyl]-4-methyl-benzene
IUPAC Name: 1-[2-chloro-1-(4-methylphenyl)ethenyl]-4-methylbenzene
SYSTEMATIC NAME: 1-[2-chloranyl-1-(4-methylphenyl)ethenyl]-4-methyl-benzene
MOLECULAR FORMULA: C16H15Cl
MOLECULAR WEIGHT: 242.7433
SMILES: CC1=CC=C(C=C1)C(=CCl)C2=CC=C(C=C2)C
Structure:
CAS RN: 57980-10-6
CAS Name: 1,8-dichloro-10-methoxyanthracene
OPENEYE Name: 1,8-dichloro-10-methoxy-anthracene
IUPAC Name: 1,8-dichloro-10-methoxyanthracene
SYSTEMATIC NAME: 1,8-bis(chloranyl)-10-methoxy-anthracene
MOLECULAR FORMULA: C15H10Cl2O
MOLECULAR WEIGHT: 277.1453
SMILES: COC1=C2C=CC=C(C2=CC3=C1C=CC=C3Cl)Cl
Structure:
CAS RN: 5134-22-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H16O2S
MOLECULAR WEIGHT: 248.34064
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2C3CC4C2C4C3
Structure:
CAS RN: 75163-99-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H12Cl6O2
MOLECULAR WEIGHT: 424.96188
SMILES: CC(=O)OC1CC2CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
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