CAS RN: 100567-98-4
CAS Name: 1-(2-bromophenyl)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
OPENEYE Name: 1-(2-bromophenyl)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
IUPAC Name: 1-(2-bromophenyl)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
SYSTEMATIC NAME: 1-(2-bromophenyl)-1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
MOLECULAR FORMULA: C16H13BrClN3O
MOLECULAR WEIGHT: 378.65092
SMILES: C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O)Br
Structure:
CAS RN: 100567-99-5
CAS Name: 1-(2-bromophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
OPENEYE Name: 1-(2-bromophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
IUPAC Name: 1-(2-bromophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
SYSTEMATIC NAME: 1-(2-bromophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
MOLECULAR FORMULA: C16H13BrFN3O
MOLECULAR WEIGHT: 362.196323
SMILES: C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)Br
Structure:
CAS RN: 100567-91-7
CAS Name: 1,1-bis(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
OPENEYE Name: 1,1-bis(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
IUPAC Name: 1,1-bis(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
SYSTEMATIC NAME: 1,1-bis[2,4-bis(fluoranyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol
MOLECULAR FORMULA: C16H11F4N3O
MOLECULAR WEIGHT: 337.271653
SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
Structure:
CAS RN: 90937-93-2
CAS Name: 2-ethoxypentanoic acid
OPENEYE Name: 2-ethoxypentanoic acid
IUPAC Name: 2-ethoxypentanoic acid
SYSTEMATIC NAME: 2-ethoxypentanoic acid
MOLECULAR FORMULA: C7H14O3
MOLECULAR WEIGHT: 146.18426
SMILES: CCCC(C(=O)O)OCC
Structure:
CAS RN: 87773-10-2
CAS Name: 2-phenyl-5,6-dihydroimidazo[2,1-a]isoquinoline
OPENEYE Name: 2-phenyl-5,6-dihydroimidazo[2,1-a]isoquinoline
IUPAC Name: 2-phenyl-5,6-dihydroimidazo[2,1-a]isoquinoline
SYSTEMATIC NAME: 2-phenyl-5,6-dihydroimidazo[2,1-a]isoquinoline
MOLECULAR FORMULA: C17H14N2
MOLECULAR WEIGHT: 246.30646
SMILES: C1CN2C=C(N=C2C3=CC=CC=C31)C4=CC=CC=C4
Structure:
CAS RN: 85303-92-0
CAS Name: 5-(2,5-dimethylphenyl)-3-phenyl-1H-1,2,4-triazole
OPENEYE Name: 5-(2,5-dimethylphenyl)-3-phenyl-1H-1,2,4-triazole
IUPAC Name: 5-(2,5-dimethylphenyl)-3-phenyl-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-(2,5-dimethylphenyl)-3-phenyl-1H-1,2,4-triazole
MOLECULAR FORMULA: C16H15N3
MOLECULAR WEIGHT: 249.3104
SMILES: CC1=CC(=C(C=C1)C)C2=NC(=NN2)C3=CC=CC=C3
Structure:
CAS RN: 85681-50-1
CAS Name: 5-(2-ethylphenyl)-3-(3-prop-2-enoxyphenyl)-1H-1,2,4-triazole hydrochloride
OPENEYE Name: 3-(3-allyloxyphenyl)-5-(2-ethylphenyl)-1H-1,2,4-triazole hydrochloride
IUPAC Name: 5-(2-ethylphenyl)-3-(3-prop-2-enoxyphenyl)-1H-1,2,4-triazole hydrochloride
SYSTEMATIC NAME: 5-(2-ethylphenyl)-3-(3-prop-2-enoxyphenyl)-1H-1,2,4-triazole hydrochloride
MOLECULAR FORMULA: C19H20ClN3O
MOLECULAR WEIGHT: 341.8346
SMILES: CCC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)OCC=C.Cl
Structure:
CAS RN: 85303-89-5
CAS Name: 5-(2-butylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
OPENEYE Name: 5-(2-butylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
IUPAC Name: 5-(2-butylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-(2-butylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
MOLECULAR FORMULA: C19H21N3O
MOLECULAR WEIGHT: 307.38954
SMILES: CCCCC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)OC
Structure:
CAS RN: 85681-49-8
CAS Name: 3,5-bis(2-methylphenyl)-1H-1,2,4-triazole
OPENEYE Name: 3,5-bis(o-tolyl)-1H-1,2,4-triazole
IUPAC Name: 3,5-bis(2-methylphenyl)-1H-1,2,4-triazole
SYSTEMATIC NAME: 3,5-bis(2-methylphenyl)-1H-1,2,4-triazole
MOLECULAR FORMULA: C16H15N3
MOLECULAR WEIGHT: 249.3104
SMILES: CC1=CC=CC=C1C2=NC(=NN2)C3=CC=CC=C3C
Structure:
CAS RN: 85303-91-9
CAS Name: 5-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
OPENEYE Name: 5-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
IUPAC Name: 5-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
MOLECULAR FORMULA: C17H17N3O
MOLECULAR WEIGHT: 279.33638
SMILES: CC1=CC(=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)OC)C
Structure:
CAS RN: 83846-83-7
CAS Name: 2,3-dihydroxybutanedioic acid; 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-1H-quinazoline-2,4-dione
OPENEYE Name: 2,3-dihydroxybutanedioic acid; 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione
IUPAC Name: 2,3-dihydroxybutanedioic acid; 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: 2,3-bis(oxidanyl)butanedioic acid; 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C26H28FN3O9
MOLECULAR WEIGHT: 545.513623
SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O.C(C(C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 80983-45-5
CAS Name: N-[6-(methylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester
OPENEYE Name: methyl N-(6-methylsulfanyl-1H-benzimidazol-2-yl)carbamate
IUPAC Name: methyl N-(6-methylsulfanyl-1H-benzimidazol-2-yl)carbamate
SYSTEMATIC NAME: methyl N-(6-methylsulfanyl-1H-benzimidazol-2-yl)carbamate
MOLECULAR FORMULA: C10H11N3O2S
MOLECULAR WEIGHT: 237.27824
SMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC
Structure:
CAS RN: 79055-68-8
CAS Name: (2R)-2-amino-5-phosphonopentanoic acid
OPENEYE Name: (2R)-2-amino-5-phosphono-pentanoic acid
IUPAC Name: (2R)-2-amino-5-phosphonopentanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-5-phosphono-pentanoic acid
MOLECULAR FORMULA: C5H12NO5P
MOLECULAR WEIGHT: 197.126241
SMILES: C(C[C@H](C(=O)O)N)CP(=O)(O)O
Structure:
CAS RN: 55462-54-9
CAS Name: N-methyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine
OPENEYE Name: N-methyl-2-[1-phenyl-1-(2-pyridyl)ethoxy]ethanamine
IUPAC Name: N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
SYSTEMATIC NAME: N-methyl-2-(1-phenyl-1-pyridin-2-yl-ethoxy)ethanamine
MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCNC
Structure:
CAS RN: 76924-93-1
CAS Name: 2-[(3-iodanylphenyl)methyl]guanidine
OPENEYE Name: 2-[(3-iodanylphenyl)methyl]guanidine
IUPAC Name: 2-[(3-iodanylphenyl)methyl]guanidine
SYSTEMATIC NAME: 2-[(3-iodanylphenyl)methyl]guanidine
MOLECULAR FORMULA: C8H10IN3
MOLECULAR WEIGHT: 271.090698
SMILES: C1=CC(=CC(=C1)[123I])CN=C(N)N
Structure:
CAS RN: 7511-41-3
CAS Name: (2S)-2-ethylhexanoic acid
OPENEYE Name: (2S)-2-ethylhexanoic acid
IUPAC Name: (2S)-2-ethylhexanoic acid
SYSTEMATIC NAME: (2S)-2-ethylhexanoic acid
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCCC[C@H](CC)C(=O)O
Structure:
CAS RN: 149-11-1
CAS Name: (2S)-2-ethylhexanoic acid
OPENEYE Name: (2S)-2-ethylhexanoic acid
IUPAC Name: (2S)-2-ethylhexanoic acid
SYSTEMATIC NAME: (2S)-2-ethylhexanoic acid
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCCC[C@H](CC)C(=O)O
Structure:
CAS RN: 71766-23-9
CAS Name: 5-(4-hydroxyphenyl)-5-(4-methylphenyl)imidazolidine-2,4-dione
OPENEYE Name: 5-(4-hydroxyphenyl)-5-(p-tolyl)imidazolidine-2,4-dione
IUPAC Name: 5-(4-hydroxyphenyl)-5-(4-methylphenyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 5-(4-hydroxyphenyl)-5-(4-methylphenyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: CC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)O
Structure:
CAS RN: 69239-56-1
CAS Name: iodine-123(1-)
OPENEYE Name: iodine-123(1-)
IUPAC Name: iodine-123(1-)
SYSTEMATIC NAME: iodine-123(1-)
MOLECULAR FORMULA: I-
MOLECULAR WEIGHT: 122.905598
SMILES: [123I-]
Structure:
CAS RN: 69352-90-5
CAS Name: 2-(2,6-dioxo-3-piperidinyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
OPENEYE Name: 2-(2,6-dioxo-3-piperidyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-[2,6-bis(oxidanylidene)piperidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C13H14N2O4
MOLECULAR WEIGHT: 262.26126
SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3CC=CCC3C2=O
Structure:
CAS RN: 68011-67-6
CAS Name: 2-hydroxy-11-benzo[b][1]benzazepinecarboxamide
OPENEYE Name: 2-hydroxybenzo[b][1]benzazepine-11-carboxamide
IUPAC Name: 2-hydroxybenzo[b][1]benzazepine-11-carboxamide
SYSTEMATIC NAME: 2-oxidanylbenzo[b][1]benzazepine-11-carboxamide
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=C(C=C3)O
Structure:
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