CAS RN: 5659-10-9
CAS Name: 2-methyl-5-[(2-quinolinylhydrazo)methylidene]-8-quinolinone
OPENEYE Name: 2-methyl-5-[[2-(2-quinolyl)hydrazino]methylene]quinolin-8-one
IUPAC Name: 2-methyl-5-[(2-quinolin-2-ylhydrazinyl)methylidene]quinolin-8-one
SYSTEMATIC NAME: 2-methyl-5-[(2-quinolin-2-ylhydrazinyl)methylidene]quinolin-8-one
MOLECULAR FORMULA: C20H16N4O
MOLECULAR WEIGHT: 328.36724
SMILES: CC1=NC2=C(C=C1)C(=CNNC3=NC4=CC=CC=C4C=C3)C=CC2=O
Structure:
CAS RN: 5659-07-4
CAS Name: 5-[1-(2-pyridinylhydrazo)ethylidene]-8-quinolinone
OPENEYE Name: 5-[1-[2-(2-pyridyl)hydrazino]ethylidene]quinolin-8-one
IUPAC Name: 5-[1-(2-pyridin-2-ylhydrazinyl)ethylidene]quinolin-8-one
SYSTEMATIC NAME: 5-[1-(2-pyridin-2-ylhydrazinyl)ethylidene]quinolin-8-one
MOLECULAR FORMULA: C16H14N4O
MOLECULAR WEIGHT: 278.30856
SMILES: CC(=C1C=CC(=O)C2=C1C=CC=N2)NNC3=CC=CC=N3
Structure:
CAS RN: 2746-55-6
CAS Name: (6Z)-6-[(2-quinolinylhydrazo)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[2-(2-quinolyl)hydrazino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[(2-quinolin-2-ylhydrazinyl)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[(2-quinolin-2-ylhydrazinyl)methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H13N3O
MOLECULAR WEIGHT: 263.29392
SMILES: C1=CC=C2C(=C1)C=CC(=N2)NN/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 5659-09-6
CAS Name: 5-[(2-quinolinylhydrazo)methylidene]-8-quinolinone
OPENEYE Name: 5-[[2-(2-quinolyl)hydrazino]methylene]quinolin-8-one
IUPAC Name: 5-[(2-quinolin-2-ylhydrazinyl)methylidene]quinolin-8-one
SYSTEMATIC NAME: 5-[(2-quinolin-2-ylhydrazinyl)methylidene]quinolin-8-one
MOLECULAR FORMULA: C19H14N4O
MOLECULAR WEIGHT: 314.34066
SMILES: C1=CC=C2C(=C1)C=CC(=N2)NNC=C3C=CC(=O)C4=C3C=CC=N4
Structure:
CAS RN: 5659-06-3
CAS Name: 2-methyl-5-[(2-pyridinylhydrazo)methylidene]-8-quinolinone
OPENEYE Name: 2-methyl-5-[[2-(2-pyridyl)hydrazino]methylene]quinolin-8-one
IUPAC Name: 2-methyl-5-[(2-pyridin-2-ylhydrazinyl)methylidene]quinolin-8-one
SYSTEMATIC NAME: 2-methyl-5-[(2-pyridin-2-ylhydrazinyl)methylidene]quinolin-8-one
MOLECULAR FORMULA: C16H14N4O
MOLECULAR WEIGHT: 278.30856
SMILES: CC1=NC2=C(C=C1)C(=CNNC3=CC=CC=N3)C=CC2=O
Structure:
CAS RN: 79837-66-4
CAS Name: (Z)-2,3-dichloro-2-butenediamide
OPENEYE Name: (Z)-2,3-dichlorobut-2-enediamide
IUPAC Name: (Z)-2,3-dichlorobut-2-enediamide
SYSTEMATIC NAME: (Z)-2,3-bis(chloranyl)but-2-enediamide
MOLECULAR FORMULA: C4H4Cl2N2O2
MOLECULAR WEIGHT: 182.99276
SMILES: C(=C(\C(=O)N)/Cl)(\C(=O)N)/Cl
Structure:
CAS RN: 73728-76-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H26O6
MOLECULAR WEIGHT: 482.52384
SMILES: CC1=C(C2=C3C(=C1)C(=C(C(=O)C3=CO2)O)C(C)C)C4=C(C=C5C6=C4OC=C6C(=O)C(=C5C(C)C)O)C
Structure:
CAS RN: 17337-96-1
CAS Name: (1Z)-7-[(8Z)-1,6-dihydroxy-8-[(hydroxyamino)methylidene]-3-methyl-7-oxo-5-propan-2-yl-2-naphthalenyl]-3,8-dihydroxy-1-[(hydroxyamino)methylidene]-6-methyl-4-propan-2-yl-2-naphthalenone
OPENEYE Name: (1Z)-7-[(8Z)-1,6-dihydroxy-8-[(hydroxyamino)methylene]-5-isopropyl-3-methyl-7-oxo-2-naphthyl]-3,8-dihydroxy-1-[(hydroxyamino)methylene]-4-isopropyl-6-methyl-naphthalen-2-one
IUPAC Name: (1Z)-7-[(8Z)-1,6-dihydroxy-8-[(hydroxyamino)methylidene]-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-1-[(hydroxyamino)methylidene]-6-methyl-4-propan-2-ylnaphthalen-2-one
SYSTEMATIC NAME: (1Z)-6-methyl-7-[(8Z)-3-methyl-1,6-bis(oxidanyl)-8-[(oxidanylamino)methylidene]-7-oxidanylidene-5-propan-2-yl-naphthalen-2-yl]-3,8-bis(oxidanyl)-1-[(oxidanylamino)methylidene]-4-propan-2-yl-naphthalen-2-one
MOLECULAR FORMULA: C30H32N2O8
MOLECULAR WEIGHT: 548.58368
SMILES: CC1=C(C(=C2/C(=C/NO)/C(=O)C(=C(C2=C1)C(C)C)O)O)C3=C(C=C4C(=C(C(=O)/C(=C\NO)/C4=C3O)O)C(C)C)C
Structure:
CAS RN: 61675-19-2
CAS Name: 5-methoxy-3-[(Z)-2-nitroethenyl]-1H-indole
OPENEYE Name: 5-methoxy-3-[(Z)-2-nitrovinyl]-1H-indole
IUPAC Name: 5-methoxy-3-[(Z)-2-nitroethenyl]-1H-indole
SYSTEMATIC NAME: 5-methoxy-3-[(Z)-2-nitroethenyl]-1H-indole
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: COC1=CC2=C(C=C1)NC=C2/C=C\[N+](=O)[O-]
Structure:
CAS RN: 6578-87-6
CAS Name: 4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methylene]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C15H11N3OS
MOLECULAR WEIGHT: 281.33234
SMILES: C1=CC=C(C=C1)C2=NN=C(S2)NC=C3C=CC(=O)C=C3
Structure:
CAS RN: 6834-99-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H27N3O7S
MOLECULAR WEIGHT: 477.53068
SMILES: CC1CC=C2CSC(C(=O)O1)NC(=O)/C/3=C\N(C2=O)C/C=C/C=C/C(CC(CC(=O)N3)O)O
Structure:
CAS RN: 4788-78-7
CAS Name: 4-[acetyl-[(E)-3-oxobut-1-enyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[acetyl-[(E)-3-oxobut-1-enyl]amino]benzoate
IUPAC Name: ethyl 4-[acetyl-[(E)-3-oxobut-1-enyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[ethanoyl-[(E)-3-oxidanylidenebut-1-enyl]amino]benzoate
MOLECULAR FORMULA: C15H17NO4
MOLECULAR WEIGHT: 275.29978
SMILES: CCOC(=O)C1=CC=C(C=C1)N(/C=C/C(=O)C)C(=O)C
Structure:
CAS RN: 15485-76-4
CAS Name: 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-chromene-2-carboxylate
IUPAC Name: ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: ethyl 3-(4-methoxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C19H16O7
MOLECULAR WEIGHT: 356.32614
SMILES: CCOC(=O)C1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)OC
Structure:
CAS RN: 21175-18-8
CAS Name: 1-phenyl-4-[(E)-2-phenylethenyl]benzene
OPENEYE Name: 1-phenyl-4-[(E)-styryl]benzene
IUPAC Name: 1-phenyl-4-[(E)-2-phenylethenyl]benzene
SYSTEMATIC NAME: 1-phenyl-4-[(E)-2-phenylethenyl]benzene
MOLECULAR FORMULA: C20H16
MOLECULAR WEIGHT: 256.34104
SMILES: C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C3=CC=CC=C3
Structure:
CAS RN: 28526-44-5
CAS Name: (3E,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-18-(4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl)-7,12,16-trimethyl-2-octadeca-3,5,7,9,11,13,15,17-octaenone
OPENEYE Name: (3E,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-1-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-18-(4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-7,12,16-trimethyl-octadeca-3,5,7,9,11,13,15,17-octaen-2-one
IUPAC Name: (3E,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-1-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-18-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-7,12,16-trimethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
SYSTEMATIC NAME: (3E,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-7,12,16-trimethyl-1-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)-18-(2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-2-one
MOLECULAR FORMULA: C40H56O4
MOLECULAR WEIGHT: 600.87024
SMILES: CC1=C(C(CC(C1)O)(C)C)CC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CC(CC2(C)C)O)C)/C)/CO
Structure:
CAS RN: 22453-06-1
CAS Name: 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,5-trimethyl-3,4-dioxo-1-cyclopentenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclopent-3-ene-1,2-dione
OPENEYE Name: 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,5-trimethyl-3,4-dioxo-cyclopenten-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclopent-3-ene-1,2-dione
IUPAC Name: 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,5-trimethyl-3,4-dioxocyclopenten-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclopent-3-ene-1,2-dione
SYSTEMATIC NAME: 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,5,5-trimethyl-3,4-bis(oxidanylidene)cyclopenten-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclopent-3-ene-1,2-dione
MOLECULAR FORMULA: C38H44O4
MOLECULAR WEIGHT: 564.75356
SMILES: CC1=C(C(C(=O)C1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(=O)C2(C)C)C)\C)\C)/C)/C
Structure:
CAS RN: 28275-20-9
CAS Name: 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,5-trimethyl-3,4-dioxo-1-cyclopentenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclopent-3-ene-1,2-dione
OPENEYE Name: 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,5-trimethyl-3,4-dioxo-cyclopenten-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclopent-3-ene-1,2-dione
IUPAC Name: 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,5-trimethyl-3,4-dioxocyclopenten-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclopent-3-ene-1,2-dione
SYSTEMATIC NAME: 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,5,5-trimethyl-3,4-bis(oxidanylidene)cyclopenten-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclopent-3-ene-1,2-dione
MOLECULAR FORMULA: C38H44O4
MOLECULAR WEIGHT: 564.75356
SMILES: CC1=C(C(C(=O)C1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(=O)C2(C)C)C)\C)\C)/C)/C
Structure:
CAS RN: 568-42-3
CAS Name: 1,4,5-trihydroxy-2-methyl-8-(4,5,8-trihydroxy-7-methyl-9,10-dioxo-1-anthracenyl)anthracene-9,10-dione
OPENEYE Name: 1,4,5-trihydroxy-2-methyl-8-(4,5,8-trihydroxy-7-methyl-9,10-dioxo-1-anthryl)anthracene-9,10-dione
IUPAC Name: 1,4,5-trihydroxy-2-methyl-8-(4,5,8-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
SYSTEMATIC NAME: 2-methyl-8-[7-methyl-4,5,8-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]-1,4,5-tris(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C30H18O10
MOLECULAR WEIGHT: 538.45792
SMILES: CC1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)C4=C5C(=C(C=C4)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O
Structure:
CAS RN: 18693-31-7
CAS Name: 1,4,5,7-tetrahydroxy-2-methyl-8-(2,4,5-trihydroxy-7-methyl-9,10-dioxo-1-anthracenyl)anthracene-9,10-dione
OPENEYE Name: 1,4,5,7-tetrahydroxy-2-methyl-8-(2,4,5-trihydroxy-7-methyl-9,10-dioxo-1-anthryl)anthracene-9,10-dione
IUPAC Name: 1,4,5,7-tetrahydroxy-2-methyl-8-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
SYSTEMATIC NAME: 7-methyl-1-[7-methyl-2,4,5-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]-2,4,5,8-tetrakis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C30H18O11
MOLECULAR WEIGHT: 554.45732
SMILES: CC1=CC(=C2C(=C1)C(=O)C3=C(C(=CC(=C3C2=O)O)O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C=C(C(=C6C5=O)O)C)O)O
Structure:
CAS RN: 52279-44-4
CAS Name: (6Z)-6-[[3-[3-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]propylthio]propylamino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[3-[3-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C20H24N2O2S
MOLECULAR WEIGHT: 356.48176
SMILES: C1=C/C(=C/NCCCSCCCN/C=C/2\C(=O)C=CC=C2)/C(=O)C=C1
Structure:
CAS RN: 151539-31-0
CAS Name: 8-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
OPENEYE Name: 8-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione
IUPAC Name: 8-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
SYSTEMATIC NAME: 8-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione
MOLECULAR FORMULA: C22H28N4O4
MOLECULAR WEIGHT: 412.48212
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=CC(=C3)OC)OC)C
Structure:
CAS RN: 147700-47-8
CAS Name: 8-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
OPENEYE Name: 8-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione
IUPAC Name: 8-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 8-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C21H26N4O4
MOLECULAR WEIGHT: 398.45554
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=CC(=CC(=C3)OC)OC
Structure:
CAS RN: 4449-55-2
CAS Name: 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-pyrano[3,2-g][1]benzopyranone
OPENEYE Name: 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
IUPAC Name: 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
SYSTEMATIC NAME: 7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-5-oxidanyl-pyrano[3,2-g]chromen-6-one
MOLECULAR FORMULA: C25H24O5
MOLECULAR WEIGHT: 404.45506
SMILES: CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)C
Structure:
CAS RN: 6472-42-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26N2O4
MOLECULAR WEIGHT: 382.45284
SMILES: C/C=C\1/CN2CCC34C2(C5CC1C3(C(O5)O)C(=O)OC)N(C6=CC=CC=C46)C
Structure:
CAS RN: 63723-54-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12BrNO3
MOLECULAR WEIGHT: 382.20748
SMILES: CC1=CC(=C2C3=C1NC(=O)C(=C3C4=CC=CC=C4C2=O)C(=O)C)Br
Structure:
CAS RN: 85-83-6
CAS Name: (1E)-1-[[2-methyl-4-(2-methylphenyl)azophenyl]hydrazinylidene]-2-naphthalenone
OPENEYE Name: (1E)-1-[[2-methyl-4-(o-tolylazo)phenyl]hydrazono]naphthalen-2-one
IUPAC Name: (1E)-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-one
SYSTEMATIC NAME: (1E)-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]hydrazinylidene]naphthalen-2-one
MOLECULAR FORMULA: C24H20N4O
MOLECULAR WEIGHT: 380.4418
SMILES: CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N/N=C\3/C(=O)C=CC4=CC=CC=C43)C
Structure:
CAS RN: 481-19-6
CAS Name: 17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: 17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: 17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: 17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H46O
MOLECULAR WEIGHT: 410.67494
SMILES: CCC(/C=C/C(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C)C(C)C
Structure:
CAS RN: 69306-81-6
CAS Name: 10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester
OPENEYE Name: methyl 10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylate
IUPAC Name: methyl 10-formyl-3,9-dihydroxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylate
SYSTEMATIC NAME: methyl 10-methanoyl-1,4,7-trimethyl-3,9-bis(oxidanyl)-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylate
MOLECULAR FORMULA: C19H16O8
MOLECULAR WEIGHT: 372.32554
SMILES: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)OC)C)C=O)O
Structure:
CAS RN: 571-67-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H12O9
MOLECULAR WEIGHT: 372.28248
SMILES: CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)O
Structure:
CAS RN: 147700-34-3
CAS Name: 1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-7H-purine-2,6-dione
IUPAC Name: 1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
MOLECULAR FORMULA: C18H20N4O5
MOLECULAR WEIGHT: 372.3752
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC
Structure:
CAS RN: 303-43-5
CAS Name: (Z)-9-octadecenoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
MOLECULAR FORMULA: C45H78O2
MOLECULAR WEIGHT: 651.09962
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
Structure:
CAS RN: 74758-12-6
CAS Name: 5-iodo-3-(phenylhydrazo)-2-indolone
OPENEYE Name: 5-iodo-3-(2-phenylhydrazino)indol-2-one
IUPAC Name: 5-iodo-3-(2-phenylhydrazinyl)indol-2-one
SYSTEMATIC NAME: 5-iodanyl-3-(2-phenylhydrazinyl)indol-2-one
MOLECULAR FORMULA: C14H10IN3O
MOLECULAR WEIGHT: 363.15317
SMILES: C1=CC=C(C=C1)NNC2=C3C=C(C=CC3=NC2=O)I
Structure:
CAS RN: 14414-32-5
CAS Name: 4-[[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]methylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[[2-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[[2-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]methylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[[2-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C18H20N2O6
MOLECULAR WEIGHT: 360.3612
SMILES: COC1=CC(=CNNC=C2C=C(C(=O)C(=C2)OC)OC)C=C(C1=O)OC
Structure:
CAS RN: 71407-30-2
CAS Name: 2-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]acetic acid
OPENEYE Name: 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]acetic acid
IUPAC Name: 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]ethanoic acid
MOLECULAR FORMULA: C22H31NO3
MOLECULAR WEIGHT: 357.48644
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NCC(=O)O)/C)/C
Structure:
CAS RN: 52197-19-0
CAS Name: (9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
OPENEYE Name: (9Z)-9-(2-oxoindan-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
IUPAC Name: (9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SYSTEMATIC NAME: (9Z)-9-(2-oxidanylidene-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
MOLECULAR FORMULA: C22H10N4O
MOLECULAR WEIGHT: 346.341
SMILES: C1C2=CC=CC=C2/C(=C/3\C4=CC=CC=C4C5=NC(=C(N=C35)C#N)C#N)/C1=O
Structure:
CAS RN: 18103-42-9
CAS Name: 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 5,7-bis(oxidanyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C18H16O7
MOLECULAR WEIGHT: 344.31544
SMILES: COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Structure:
CAS RN: 14221-65-9
CAS Name: 3,5-dihydroxy-6,7,8-trimethoxy-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 3,5-dihydroxy-6,7,8-trimethoxy-2-phenyl-chromen-4-one
IUPAC Name: 3,5-dihydroxy-6,7,8-trimethoxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 6,7,8-trimethoxy-3,5-bis(oxidanyl)-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C18H16O7
MOLECULAR WEIGHT: 344.31544
SMILES: COC1=C(C2=C(C(=C1OC)OC)OC(=C(C2=O)O)C3=CC=CC=C3)O
Structure:
CAS RN: 68189-23-1
CAS Name: 4-[(Z)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline
OPENEYE Name: 4-[(Z)-(diphenylhydrazono)methyl]-N,N-diethyl-aniline
IUPAC Name: 4-[(Z)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline
SYSTEMATIC NAME: 4-[(Z)-(diphenylhydrazinylidene)methyl]-N,N-diethyl-aniline
MOLECULAR FORMULA: C23H25N3
MOLECULAR WEIGHT: 343.4647
SMILES: CCN(CC)C1=CC=C(C=C1)/C=N\N(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
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