CAS RN: 17215-77-9
CAS Name: 2,2-dichloro-3H-inden-1-one
OPENEYE Name: 2,2-dichloroindan-1-one
IUPAC Name: 2,2-dichloro-3H-inden-1-one
SYSTEMATIC NAME: 2,2-bis(chloranyl)-3H-inden-1-one
MOLECULAR FORMULA: C9H6Cl2O
MOLECULAR WEIGHT: 201.04934
SMILES: C1C2=CC=CC=C2C(=O)C1(Cl)Cl
Structure:
CAS RN: 67916-54-5
CAS Name: bis(4-methoxyphenyl)-(2-pyridinyl)methanol
OPENEYE Name: bis(4-methoxyphenyl)-(2-pyridyl)methanol
IUPAC Name: bis(4-methoxyphenyl)-pyridin-2-ylmethanol
SYSTEMATIC NAME: bis(4-methoxyphenyl)-pyridin-2-yl-methanol
MOLECULAR FORMULA: C20H19NO3
MOLECULAR WEIGHT: 321.36976
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=CC=N3)O
Structure:
CAS RN: 3456-79-9
CAS Name: 3-phenyl-1,3-dihydroindol-2-one
OPENEYE Name: 3-phenylindolin-2-one
IUPAC Name: 3-phenyl-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 3-phenyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C14H11NO
MOLECULAR WEIGHT: 209.24324
SMILES: C1=CC=C(C=C1)C2C3=CC=CC=C3NC2=O
Structure:
CAS RN: 3469-19-0
CAS Name: 2,2-diphenylethenyl(phenyl)diazene
OPENEYE Name: 2,2-diphenylvinyl(phenyl)diazene
IUPAC Name: 2,2-diphenylethenyl(phenyl)diazene
SYSTEMATIC NAME: 2,2-diphenylethenyl(phenyl)diazene
MOLECULAR FORMULA: C20H16N2
MOLECULAR WEIGHT: 284.35444
SMILES: C1=CC=C(C=C1)C(=CN=NC2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 35595-81-4
CAS Name: 2-methylene-1-cyclododecanol
OPENEYE Name: 2-methylenecyclododecanol
IUPAC Name: 2-methylidenecyclododecan-1-ol
SYSTEMATIC NAME: 2-methylidenecyclododecan-1-ol
MOLECULAR FORMULA: C13H24O
MOLECULAR WEIGHT: 196.32906
SMILES: C=C1CCCCCCCCCCC1O
Structure:
CAS RN: 16215-59-1
CAS Name: 2-(2-oxocyclododecyl)acetic acid
OPENEYE Name: 2-(2-oxocyclododecyl)acetic acid
IUPAC Name: 2-(2-oxocyclododecyl)acetic acid
SYSTEMATIC NAME: 2-(2-oxidanylidenecyclododecyl)ethanoic acid
MOLECULAR FORMULA: C14H24O3
MOLECULAR WEIGHT: 240.33856
SMILES: C1CCCCCC(=O)C(CCCC1)CC(=O)O
Structure:
CAS RN: 3667-84-3
CAS Name: 4-methylbenzenesulfonic acid (2-oxocyclododecyl) ester
OPENEYE Name: (2-oxocyclododecyl) 4-methylbenzenesulfonate
IUPAC Name: (2-oxocyclododecyl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (2-oxidanylidenecyclododecyl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C19H28O4S
MOLECULAR WEIGHT: 352.48822
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCCCCCCCC2=O
Structure:
CAS RN: 52190-43-9
CAS Name: 2-(phenylthio)-1-cyclododecanone
OPENEYE Name: 2-phenylsulfanylcyclododecanone
IUPAC Name: 2-phenylsulfanylcyclododecan-1-one
SYSTEMATIC NAME: 2-phenylsulfanylcyclododecan-1-one
MOLECULAR FORMULA: C18H26OS
MOLECULAR WEIGHT: 290.46344
SMILES: C1CCCCCC(=O)C(CCCC1)SC2=CC=CC=C2
Structure:
CAS RN: 19344-93-5
CAS Name: 3-hydroxy-1,5-diphenyl-2-pyrrolidinone
OPENEYE Name: 3-hydroxy-1,5-diphenyl-pyrrolidin-2-one
IUPAC Name: 3-hydroxy-1,5-diphenylpyrrolidin-2-one
SYSTEMATIC NAME: 3-oxidanyl-1,5-diphenyl-pyrrolidin-2-one
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: C1C(N(C(=O)C1O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 46114-86-7
CAS Name: 2-oxo-N-phenylpropanamide
OPENEYE Name: 2-oxo-N-phenyl-propanamide
IUPAC Name: 2-oxo-N-phenylpropanamide
SYSTEMATIC NAME: 2-oxidanylidene-N-phenyl-propanamide
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: CC(=O)C(=O)NC1=CC=CC=C1
Structure:
CAS RN: 17408-56-9
CAS Name: 4-anilino-2-phenyl-2H-furan-5-one
OPENEYE Name: 4-anilino-2-phenyl-2H-furan-5-one
IUPAC Name: 4-anilino-2-phenyl-2H-furan-5-one
SYSTEMATIC NAME: 2-phenyl-4-phenylazanyl-2H-furan-5-one
MOLECULAR FORMULA: C16H13NO2
MOLECULAR WEIGHT: 251.27992
SMILES: C1=CC=C(C=C1)C2C=C(C(=O)O2)NC3=CC=CC=C3
Structure:
CAS RN: 84868-54-2
CAS Name: 3-(diphenylmethyl)phenol
OPENEYE Name: 3-benzhydrylphenol
IUPAC Name: 3-benzhydrylphenol
SYSTEMATIC NAME: 3-(diphenylmethyl)phenol
MOLECULAR FORMULA: C19H16O
MOLECULAR WEIGHT: 260.32974
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC(=CC=C3)O
Structure:
CAS RN: 619-12-5
CAS Name: 4-formyl-3-hydroxybenzoic acid
OPENEYE Name: 4-formyl-3-hydroxy-benzoic acid
IUPAC Name: 4-formyl-3-hydroxybenzoic acid
SYSTEMATIC NAME: 4-methanoyl-3-oxidanyl-benzoic acid
MOLECULAR FORMULA: C8H6O4
MOLECULAR WEIGHT: 166.13084
SMILES: C1=CC(=C(C=C1C(=O)O)O)C=O
Structure:
CAS RN: 23000-11-5
CAS Name: 2,4-dimethyl-5-(4-nitrophenyl)oxazole
OPENEYE Name: 2,4-dimethyl-5-(4-nitrophenyl)oxazole
IUPAC Name: 2,4-dimethyl-5-(4-nitrophenyl)-1,3-oxazole
SYSTEMATIC NAME: 2,4-dimethyl-5-(4-nitrophenyl)-1,3-oxazole
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: CC1=C(OC(=N1)C)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 83-74-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26N2O
MOLECULAR WEIGHT: 310.43324
SMILES: CC[C@@H]1C[C@H]2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC
Structure:
CAS RN: 77876-76-7
CAS Name: 2-(3-chlorophenyl)-4-methyl-5-phenyloxazole
OPENEYE Name: 2-(3-chlorophenyl)-4-methyl-5-phenyl-oxazole
IUPAC Name: 2-(3-chlorophenyl)-4-methyl-5-phenyl-1,3-oxazole
SYSTEMATIC NAME: 2-(3-chlorophenyl)-4-methyl-5-phenyl-1,3-oxazole
MOLECULAR FORMULA: C16H12ClNO
MOLECULAR WEIGHT: 269.72558
SMILES: CC1=C(OC(=N1)C2=CC(=CC=C2)Cl)C3=CC=CC=C3
Structure:
CAS RN: 59886-49-6
CAS Name: 2-[[4-[(2-amino-2-oxoethyl)amino]-2,5-bis(1-aziridinyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl]amino]acetamide
OPENEYE Name: 2-[[4-[(2-amino-2-oxo-ethyl)amino]-2,5-bis(aziridin-1-yl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]amino]acetamide
IUPAC Name: 2-[[4-[(2-amino-2-oxoethyl)amino]-2,5-bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]acetamide
SYSTEMATIC NAME: 2-[[4-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2,5-bis(aziridin-1-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]amino]ethanamide
MOLECULAR FORMULA: C14H18N6O4
MOLECULAR WEIGHT: 334.33052
SMILES: C1CN1C2=C(C(=O)C(=C(C2=O)NCC(=O)N)N3CC3)NCC(=O)N
Structure:
CAS RN: 51776-39-7
CAS Name: 10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
OPENEYE Name: 10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
IUPAC Name: 10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
SYSTEMATIC NAME: 9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10,11-bis(oxidanyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
MOLECULAR FORMULA: C30H46O7
MOLECULAR WEIGHT: 518.68204
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C(=O)O
Structure:
CAS RN: 29699-93-2
CAS Name: 2-(hydroxymethyl)-5-[(6S)-6-(hydroxymethyl)-3,6-dihydropurin-9-yl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-[(6S)-6-(hydroxymethyl)-3,6-dihydropurin-9-yl]tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-[(6S)-6-(hydroxymethyl)-3,6-dihydropurin-9-yl]oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[(6S)-6-(hydroxymethyl)-3,6-dihydropurin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C11H16N4O5
MOLECULAR WEIGHT: 284.26854
SMILES: C1=N[C@@H](C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O)CO
Structure:
CAS RN: 57872-99-8
CAS Name: N-[4-bromo-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-imidazo[4,5-c]pyridinyl]acetamide
OPENEYE Name: N-[4-bromo-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazo[4,5-c]pyridin-6-yl]acetamide
IUPAC Name: N-[4-bromo-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[4,5-c]pyridin-6-yl]acetamide
SYSTEMATIC NAME: N-[4-bromanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]imidazo[4,5-c]pyridin-6-yl]ethanamide
MOLECULAR FORMULA: C13H15BrN4O5
MOLECULAR WEIGHT: 387.186
SMILES: CC(=O)NC1=NC(=C2C(=C1)N(C=N2)C3C(C(C(O3)CO)O)O)Br
Structure:
CAS RN: 73851-51-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18N6O4S2
MOLECULAR WEIGHT: 410.47122
SMILES: CSC1=NC(=NC2=C1C3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N)SC
Structure:
CAS RN: 60820-87-3
CAS Name: 1-[3,4-diacetyloxy-5-(acetyloxymethyl)-2-oxolanyl]imidazole-4,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 1-[3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]imidazole-4,5-dicarboxylate
IUPAC Name: dimethyl 1-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 1-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxylate
MOLECULAR FORMULA: C18H22N2O11
MOLECULAR WEIGHT: 442.37408
SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC(=C2C(=O)OC)C(=O)OC)OC(=O)C)OC(=O)C
Structure:
CAS RN: 53929-59-2
CAS Name: 4-methylpyridine-2,3-diamine
OPENEYE Name: 4-methylpyridine-2,3-diamine
IUPAC Name: 4-methylpyridine-2,3-diamine
SYSTEMATIC NAME: 4-methylpyridine-2,3-diamine
MOLECULAR FORMULA: C6H9N3
MOLECULAR WEIGHT: 123.15576
SMILES: CC1=C(C(=NC=C1)N)N
Structure:
CAS RN: 69241-86-7
CAS Name: 2,3-dimethoxy-5-methyl-6-(2-naphthalenylthio)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-dimethoxy-5-methyl-6-(2-naphthylsulfanyl)-1,4-benzoquinone
IUPAC Name: 2,3-dimethoxy-5-methyl-6-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethoxy-5-methyl-6-naphthalen-2-ylsulfanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C19H16O4S
MOLECULAR WEIGHT: 340.39294
SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)SC2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 58869-55-9
CAS Name: N-(3-chlorophenyl)-1-[4-[(3-chlorophenyl)iminomethyl]phenyl]methanimine
OPENEYE Name: N-(3-chlorophenyl)-1-[4-[(3-chlorophenyl)iminomethyl]phenyl]methanimine
IUPAC Name: N-(3-chlorophenyl)-1-[4-[(3-chlorophenyl)iminomethyl]phenyl]methanimine
SYSTEMATIC NAME: N-(3-chlorophenyl)-1-[4-[(3-chlorophenyl)iminomethyl]phenyl]methanimine
MOLECULAR FORMULA: C20H14Cl2N2
MOLECULAR WEIGHT: 353.24456
SMILES: C1=CC(=CC(=C1)Cl)N=CC2=CC=C(C=C2)C=NC3=CC(=CC=C3)Cl
Structure:
CAS RN: 904-70-1
CAS Name: N-(4-chlorophenyl)-1-[4-[(4-chlorophenyl)iminomethyl]phenyl]methanimine
OPENEYE Name: N-(4-chlorophenyl)-1-[4-[(4-chlorophenyl)iminomethyl]phenyl]methanimine
IUPAC Name: N-(4-chlorophenyl)-1-[4-[(4-chlorophenyl)iminomethyl]phenyl]methanimine
SYSTEMATIC NAME: N-(4-chlorophenyl)-1-[4-[(4-chlorophenyl)iminomethyl]phenyl]methanimine
MOLECULAR FORMULA: C20H14Cl2N2
MOLECULAR WEIGHT: 353.24456
SMILES: C1=CC(=CC=C1C=NC2=CC=C(C=C2)Cl)C=NC3=CC=C(C=C3)Cl
Structure:
CAS RN: 42365-94-6
CAS Name: N-(5-chloro-2-pyridinyl)-1-[4-[(5-chloro-2-pyridinyl)iminomethyl]phenyl]methanimine
OPENEYE Name: N-(5-chloro-2-pyridyl)-1-[4-[(5-chloro-2-pyridyl)iminomethyl]phenyl]methanimine
IUPAC Name: N-(5-chloropyridin-2-yl)-1-[4-[(5-chloropyridin-2-yl)iminomethyl]phenyl]methanimine
SYSTEMATIC NAME: N-(5-chloranylpyridin-2-yl)-1-[4-[(5-chloranylpyridin-2-yl)iminomethyl]phenyl]methanimine
MOLECULAR FORMULA: C18H12Cl2N4
MOLECULAR WEIGHT: 355.22068
SMILES: C1=CC(=CC=C1C=NC2=NC=C(C=C2)Cl)C=NC3=NC=C(C=C3)Cl
Structure:
CAS RN: 23260-01-7
CAS Name: 2-[2-(2,4-dinitrophenyl)ethenyl]thiophene
OPENEYE Name: 2-[2-(2,4-dinitrophenyl)vinyl]thiophene
IUPAC Name: 2-[2-(2,4-dinitrophenyl)ethenyl]thiophene
SYSTEMATIC NAME: 2-[2-(2,4-dinitrophenyl)ethenyl]thiophene
MOLECULAR FORMULA: C12H8N2O4S
MOLECULAR WEIGHT: 276.26792
SMILES: C1=CSC(=C1)C=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 1435-04-7
CAS Name: 2-(thiophen-2-ylmethylideneamino)phenol
OPENEYE Name: 2-(2-thienylmethyleneamino)phenol
IUPAC Name: 2-(thiophen-2-ylmethylideneamino)phenol
SYSTEMATIC NAME: 2-(thiophen-2-ylmethylideneamino)phenol
MOLECULAR FORMULA: C11H9NOS
MOLECULAR WEIGHT: 203.26026
SMILES: C1=CC=C(C(=C1)N=CC2=CC=CS2)O
Structure:
CAS RN: 13533-27-2
CAS Name: N-(4-methoxyphenyl)-1-thiophen-2-ylmethanimine
OPENEYE Name: N-(4-methoxyphenyl)-1-(2-thienyl)methanimine
IUPAC Name: N-(4-methoxyphenyl)-1-thiophen-2-ylmethanimine
SYSTEMATIC NAME: N-(4-methoxyphenyl)-1-thiophen-2-yl-methanimine
MOLECULAR FORMULA: C12H11NOS
MOLECULAR WEIGHT: 217.28684
SMILES: COC1=CC=C(C=C1)N=CC2=CC=CS2
Structure:
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