CAS RN: 4539-32-6
CAS Name: 2,3-dimethyl-2,3-diphenyloxirane
OPENEYE Name: 2,3-dimethyl-2,3-diphenyl-oxirane
IUPAC Name: 2,3-dimethyl-2,3-diphenyloxirane
SYSTEMATIC NAME: 2,3-dimethyl-2,3-diphenyl-oxirane
MOLECULAR FORMULA: C16H16O
MOLECULAR WEIGHT: 224.29764
SMILES: CC1(C(O1)(C)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 7073-69-0
CAS Name: 2-(2-bromophenyl)-2-propanol
OPENEYE Name: 2-(2-bromophenyl)propan-2-ol
IUPAC Name: 2-(2-bromophenyl)propan-2-ol
SYSTEMATIC NAME: 2-(2-bromophenyl)propan-2-ol
MOLECULAR FORMULA: C9H11BrO
MOLECULAR WEIGHT: 215.08704
SMILES: CC(C)(C1=CC=CC=C1Br)O
Structure:
CAS RN: 1858-86-2
CAS Name: 4-methylbenzenesulfinic acid ethyl ester
OPENEYE Name: ethyl 4-methylbenzenesulfinate
IUPAC Name: ethyl 4-methylbenzenesulfinate
SYSTEMATIC NAME: ethyl 4-methylbenzenesulfinate
MOLECULAR FORMULA: C9H12O2S
MOLECULAR WEIGHT: 184.25538
SMILES: CCOS(=O)C1=CC=C(C=C1)C
Structure:
CAS RN: 1517-82-4
CAS Name: 4-methylbenzenesulfinic acid (5-methyl-2-propan-2-ylcyclohexyl) ester
OPENEYE Name: (2-isopropyl-5-methyl-cyclohexyl) 4-methylbenzenesulfinate
IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 4-methylbenzenesulfinate
SYSTEMATIC NAME: (5-methyl-2-propan-2-yl-cyclohexyl) 4-methylbenzenesulfinate
MOLECULAR FORMULA: C17H26O2S
MOLECULAR WEIGHT: 294.45214
SMILES: CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)C
Structure:
CAS RN: 59169-68-5
CAS Name: [1-[6-[1-(carbamoylhydrazinylidene)ethyl]-2-pyridinyl]ethylideneamino]urea
OPENEYE Name: [1-[6-(C-methyl-N-ureido-carbonimidoyl)-2-pyridyl]ethylideneamino]urea
IUPAC Name: [1-[6-[N-(carbamoylamino)-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]urea
SYSTEMATIC NAME: 1-[1-[6-[N-(aminocarbonylamino)-C-methyl-carbonimidoyl]pyridin-2-yl]ethylideneamino]urea
MOLECULAR FORMULA: C11H15N7O2
MOLECULAR WEIGHT: 277.2825
SMILES: CC(=NNC(=O)N)C1=NC(=CC=C1)C(=NNC(=O)N)C
Structure:
CAS RN: 71837-50-8
CAS Name: 3-methyl-6-(1-methylethenyl)-1-cycloheptanone
OPENEYE Name: 3-isopropenyl-6-methyl-cycloheptanone
IUPAC Name: 3-methyl-6-prop-1-en-2-ylcycloheptan-1-one
SYSTEMATIC NAME: 3-methyl-6-prop-1-en-2-yl-cycloheptan-1-one
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC1CCC(CC(=O)C1)C(=C)C
Structure:
CAS RN: 80800-92-6
CAS Name: acetic acid (6'-methyl-10'-oxo-7'-spiro[1,3-dioxolane-2,3'-bicyclo[4.3.1]decane]yl) ester
OPENEYE Name: (6'-methyl-10'-oxo-spiro[1,3-dioxolane-2,3'-bicyclo[4.3.1]decane]-7'-yl) acetate
IUPAC Name: (6'-methyl-10'-oxospiro[1,3-dioxolane-2,3'-bicyclo[4.3.1]decane]-7'-yl) acetate
SYSTEMATIC NAME: (6'-methyl-10'-oxidanylidene-spiro[1,3-dioxolane-2,3'-bicyclo[4.3.1]decane]-7'-yl) ethanoate
MOLECULAR FORMULA: C15H22O5
MOLECULAR WEIGHT: 282.33218
SMILES: CC(=O)OC1CCC2CC3(CCC1(C2=O)C)OCCO3
Structure:
CAS RN: 59711-44-3
CAS Name: 8a-ethenyl-1,4,4a,5,6,8-hexahydro-2-benzopyran-3,7-dione
OPENEYE Name: 8a-vinyl-1,4,4a,5,6,8-hexahydroisochromene-3,7-dione
IUPAC Name: 8a-ethenyl-1,4,4a,5,6,8-hexahydroisochromene-3,7-dione
SYSTEMATIC NAME: 8a-ethenyl-1,4,4a,5,6,8-hexahydroisochromene-3,7-dione
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: C=CC12CC(=O)CCC1CC(=O)OC2
Structure:
CAS RN: 39596-02-6
CAS Name: 8a-ethenyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
OPENEYE Name: 8a-vinyldecalin-2-one
IUPAC Name: 8a-ethenyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
SYSTEMATIC NAME: 8a-ethenyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: C=CC12CCCCC1CCC(=O)C2
Structure:
CAS RN: 72635-33-7
CAS Name: 1-methyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylic acid methyl ester
OPENEYE Name: methyl 1-methyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate
IUPAC Name: methyl 1-methyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate
SYSTEMATIC NAME: methyl 1-methyl-2,3,4,6a-tetrahydro-1H-pentalene-3a-carboxylate
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC1CCC2(C1C=CC2)C(=O)OC
Structure:
CAS RN: 71837-44-0
CAS Name: 4-methyl-1-cyclohept-2-enone
OPENEYE Name: 4-methylcyclohept-2-en-1-one
IUPAC Name: 4-methylcyclohept-2-en-1-one
SYSTEMATIC NAME: 4-methylcyclohept-2-en-1-one
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CC1CCCC(=O)C=C1
Structure:
CAS RN: 71837-43-9
CAS Name: 5-tert-butyl-1-cyclohept-2-enone
OPENEYE Name: 5-tert-butylcyclohept-2-en-1-one
IUPAC Name: 5-tert-butylcyclohept-2-en-1-one
SYSTEMATIC NAME: 5-tert-butylcyclohept-2-en-1-one
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC(C)(C)C1CCC(=O)C=CC1
Structure:
CAS RN: 71837-42-8
CAS Name: 5-methyl-1-cyclohept-2-enone
OPENEYE Name: 5-methylcyclohept-2-en-1-one
IUPAC Name: 5-methylcyclohept-2-en-1-one
SYSTEMATIC NAME: 5-methylcyclohept-2-en-1-one
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CC1CCC(=O)C=CC1
Structure:
CAS RN: 71837-41-7
CAS Name: 6-(1-methylethenyl)-1-cyclohept-2-enone
OPENEYE Name: 6-isopropenylcyclohept-2-en-1-one
IUPAC Name: 6-prop-1-en-2-ylcyclohept-2-en-1-one
SYSTEMATIC NAME: 6-prop-1-en-2-ylcyclohept-2-en-1-one
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC(=C)C1CCC=CC(=O)C1
Structure:
CAS RN: 71837-40-6
CAS Name: 6-tert-butyl-1-cyclohept-2-enone
OPENEYE Name: 6-tert-butylcyclohept-2-en-1-one
IUPAC Name: 6-tert-butylcyclohept-2-en-1-one
SYSTEMATIC NAME: 6-tert-butylcyclohept-2-en-1-one
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC(C)(C)C1CCC=CC(=O)C1
Structure:
CAS RN: 71837-39-3
CAS Name: 6-methyl-1-cyclohept-2-enone
OPENEYE Name: 6-methylcyclohept-2-en-1-one
IUPAC Name: 6-methylcyclohept-2-en-1-one
SYSTEMATIC NAME: 6-methylcyclohept-2-en-1-one
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CC1CCC=CC(=O)C1
Structure:
CAS RN: 86229-75-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H50N6O10
MOLECULAR WEIGHT: 798.8806
SMILES: CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)OC(=O)C)C)C)CC5=CC=C(C=C5)OC)C)C
Structure:
CAS RN: 69588-88-1
CAS Name: N-(1-hydroxy-2,2,5,5-tetramethyl-3-pyrrolyl)-1-aziridinecarboxamide
OPENEYE Name: N-(1-hydroxy-2,2,5,5-tetramethyl-pyrrol-3-yl)aziridine-1-carboxamide
IUPAC Name: N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)aziridine-1-carboxamide
SYSTEMATIC NAME: N-(2,2,5,5-tetramethyl-1-oxidanyl-pyrrol-3-yl)aziridine-1-carboxamide
MOLECULAR FORMULA: C11H19N3O2
MOLECULAR WEIGHT: 225.28746
SMILES: CC1(C=C(C(N1O)(C)C)NC(=O)N2CC2)C
Structure:
CAS RN: 62226-39-5
CAS Name: 2-chloro-4-(5-chloro-3-thiophenyl)thiophene
OPENEYE Name: 2-chloro-4-(5-chloro-3-thienyl)thiophene
IUPAC Name: 2-chloro-4-(5-chlorothiophen-3-yl)thiophene
SYSTEMATIC NAME: 2-chloranyl-4-(5-chloranylthiophen-3-yl)thiophene
MOLECULAR FORMULA: C8H4Cl2S2
MOLECULAR WEIGHT: 235.15336
SMILES: C1=C(SC=C1C2=CSC(=C2)Cl)Cl
Structure:
CAS RN: 88584-10-5
CAS Name: 1-[bis(2-chloroethyl)amino-chlorophosphoryl]-4-piperidinol
OPENEYE Name: 1-[bis(2-chloroethyl)amino-chloro-phosphoryl]piperidin-4-ol
IUPAC Name: 1-[bis(2-chloroethyl)amino-chlorophosphoryl]piperidin-4-ol
SYSTEMATIC NAME: 1-[bis(2-chloroethyl)amino-chloranyl-phosphoryl]piperidin-4-ol
MOLECULAR FORMULA: C9H18Cl3N2O2P
MOLECULAR WEIGHT: 323.584181
SMILES: C1CN(CCC1O)P(=O)(N(CCCl)CCCl)Cl
Structure:
CAS RN: 73851-57-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14N6O6
MOLECULAR WEIGHT: 350.28686
SMILES: C1=NC2=C(C3=C(N2C4C(C(C(O4)CO)O)O)NC(=O)NC3=O)C(=N1)N
Structure:
CAS RN: 57672-91-0
CAS Name: 2-hydroxy-3-methylpentanoic acid [6-[5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxo-4-oxepanyl]-5-formyloxy-3-(3-furanyl)-7a-hydroxy-3a-methyl-7-methylene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] ester
OPENEYE Name: [6-[5-acetoxy-2-(acetoxymethyl)-3-(2-methoxy-2-oxo-ethyl)-2,4-dimethyl-7-oxo-oxepan-4-yl]-5-formyloxy-3-(3-furyl)-7a-hydroxy-3a-methyl-7-methylene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 2-hydroxy-3-methyl-pentanoate
IUPAC Name: [6-[5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 2-hydroxy-3-methylpentanoate
SYSTEMATIC NAME: [6-[5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxidanylidene-ethyl)-2,4-dimethyl-7-oxidanylidene-oxepan-4-yl]-3-(furan-3-yl)-5-methanoyloxy-3a-methyl-7-methylidene-7a-oxidanyl-1-oxidanylidene-3,4,5,6-tetrahydro-2H-inden-4-yl] 3-methyl-2-oxidanyl-penta
MOLECULAR FORMULA: C38H50O16
MOLECULAR WEIGHT: 762.794
SMILES: CCC(C)C(C(=O)OC1C(C(C(=C)C2(C1(C(CC2=O)C3=COC=C3)C)O)C4(C(CC(=O)OC(C4CC(=O)OC)(C)COC(=O)C)OC(=O)C)C)OC=O)O
Structure:
CAS RN: 63139-16-2
CAS Name: 2-[1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
OPENEYE Name: 2-[1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
IUPAC Name: 2-[1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
SYSTEMATIC NAME: 2-[1-[10,13-dimethyl-5,6,14,17-tetrakis(oxidanyl)-1-oxidanylidene-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]-1-oxidanyl-ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C28H40O8
MOLECULAR WEIGHT: 504.6124
SMILES: CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)O)O)O)C
Structure:
CAS RN: 6547-34-8
CAS Name: 7-(chloromethyl)-4,5,6-trimethoxy-3H-isobenzofuran-1-one
OPENEYE Name: 7-(chloromethyl)-4,5,6-trimethoxy-3H-isobenzofuran-1-one
IUPAC Name: 7-(chloromethyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 7-(chloromethyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C12H13ClO5
MOLECULAR WEIGHT: 272.68162
SMILES: COC1=C(C(=C(C2=C1COC2=O)CCl)OC)OC
Structure:
CAS RN: 21483-32-9
CAS Name: 7-(chloromethyl)-6-methoxy-3H-isobenzofuran-1-one
OPENEYE Name: 7-(chloromethyl)-6-methoxy-3H-isobenzofuran-1-one
IUPAC Name: 7-(chloromethyl)-6-methoxy-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 7-(chloromethyl)-6-methoxy-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C10H9ClO3
MOLECULAR WEIGHT: 212.62966
SMILES: COC1=C(C2=C(COC2=O)C=C1)CCl
Structure:
CAS RN: 67988-73-2
CAS Name: 1-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-(ethylthio)-3-indolizinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-2-ethylsulfanyl-indolizine-3-carboxylate
IUPAC Name: ethyl 1-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-ethylsulfanylindolizine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-ethylsulfanyl-indolizine-3-carboxylate
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 372.4381
SMILES: CCOC(=O)C1=C(C(=C2N1C=CC=C2)C=C(C#N)C(=O)OCC)SCC
Structure:
CAS RN: 74820-66-9
CAS Name: 3-[[2-(N-methylanilino)-3-pyrazolo[1,5-a]pyridinyl]methylidene]pentane-2,4-dione
OPENEYE Name: 3-[[2-(N-methylanilino)pyrazolo[1,5-a]pyridin-3-yl]methylene]pentane-2,4-dione
IUPAC Name: 3-[[2-(N-methylanilino)pyrazolo[1,5-a]pyridin-3-yl]methylidene]pentane-2,4-dione
SYSTEMATIC NAME: 3-[[2-[methyl(phenyl)amino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]pentane-2,4-dione
MOLECULAR FORMULA: C20H19N3O2
MOLECULAR WEIGHT: 333.38376
SMILES: CC(=O)C(=CC1=C2C=CC=CN2N=C1N(C)C3=CC=CC=C3)C(=O)C
Structure:
CAS RN: 67988-56-1
CAS Name: 3-(2-acetyloxy-3-methyl-1-indolizinyl)-2-cyano-2-propenoic acid ethyl ester
OPENEYE Name: ethyl 3-(2-acetoxy-3-methyl-indolizin-1-yl)-2-cyano-prop-2-enoate
IUPAC Name: ethyl 3-(2-acetyloxy-3-methylindolizin-1-yl)-2-cyanoprop-2-enoate
SYSTEMATIC NAME: ethyl 3-(2-acetyloxy-3-methyl-indolizin-1-yl)-2-cyano-prop-2-enoate
MOLECULAR FORMULA: C17H16N2O4
MOLECULAR WEIGHT: 312.31994
SMILES: CCOC(=O)C(=CC1=C2C=CC=CN2C(=C1OC(=O)C)C)C#N
Structure:
CAS RN: 67988-54-9
CAS Name: 3-(2-acetyloxy-5-methyl-1-indolizinyl)-2-cyano-2-propenoic acid ethyl ester
OPENEYE Name: ethyl 3-(2-acetoxy-5-methyl-indolizin-1-yl)-2-cyano-prop-2-enoate
IUPAC Name: ethyl 3-(2-acetyloxy-5-methylindolizin-1-yl)-2-cyanoprop-2-enoate
SYSTEMATIC NAME: ethyl 3-(2-acetyloxy-5-methyl-indolizin-1-yl)-2-cyano-prop-2-enoate
MOLECULAR FORMULA: C17H16N2O4
MOLECULAR WEIGHT: 312.31994
SMILES: CCOC(=O)C(=CC1=C2C=CC=C(N2C=C1OC(=O)C)C)C#N
Structure:
CAS RN: 75248-33-8
CAS Name: 6-methyl-2-oxo-3-pyrano[2,3-b]indolizinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 6-methyl-2-oxo-pyrano[2,3-b]indolizine-3-carboxylate
IUPAC Name: ethyl 6-methyl-2-oxopyrano[2,3-b]indolizine-3-carboxylate
SYSTEMATIC NAME: ethyl 6-methyl-2-oxidanylidene-pyrano[2,3-b]indolizine-3-carboxylate
MOLECULAR FORMULA: C15H13NO4
MOLECULAR WEIGHT: 271.26802
SMILES: CCOC(=O)C1=CC2=C(C=C3N2C(=CC=C3)C)OC1=O
Structure:
CAS RN: 67988-74-3
CAS Name: 1-(2-acetyl-3-oxobut-1-enyl)-2-(ethylthio)-3-indolizinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(2-acetyl-3-oxo-but-1-enyl)-2-ethylsulfanyl-indolizine-3-carboxylate
IUPAC Name: ethyl 1-(2-acetyl-3-oxobut-1-enyl)-2-ethylsulfanylindolizine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-2-ethylsulfanyl-indolizine-3-carboxylate
MOLECULAR FORMULA: C19H21NO4S
MOLECULAR WEIGHT: 359.43934
SMILES: CCOC(=O)C1=C(C(=C2N1C=CC=C2)C=C(C(=O)C)C(=O)C)SCC
Structure:
CAS RN: 70261-91-5
CAS Name: 2-cyano-3-[2-(ethylamino)-3-pyrazolo[1,5-a]pyridinyl]-2-propenoic acid ethyl ester
OPENEYE Name: ethyl 2-cyano-3-[2-(ethylamino)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enoate
IUPAC Name: ethyl 2-cyano-3-[2-(ethylamino)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enoate
SYSTEMATIC NAME: ethyl 2-cyano-3-[2-(ethylamino)pyrazolo[1,5-a]pyridin-3-yl]prop-2-enoate
MOLECULAR FORMULA: C15H16N4O2
MOLECULAR WEIGHT: 284.31314
SMILES: CCNC1=NN2C=CC=CC2=C1C=C(C#N)C(=O)OCC
Structure:
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