CAS RN: 974-23-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: CC(=O)C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C
Structure:
CAS RN: 15419-94-0
CAS Name: 1-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]ethanone
OPENEYE Name: 1-[2-(2-chloro-1,1,2-trifluoro-ethoxy)phenyl]ethanone
IUPAC Name: 1-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[2-[2-chloranyl-1,1,2-tris(fluoranyl)ethoxy]phenyl]ethanone
MOLECULAR FORMULA: C10H8ClF3O2
MOLECULAR WEIGHT: 252.61753
SMILES: CC(=O)C1=CC=CC=C1OC(C(F)Cl)(F)F
Structure:
CAS RN: 5817-87-8
CAS Name: 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole
OPENEYE Name: 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole
IUPAC Name: 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole
SYSTEMATIC NAME: 6,7-dihydro-5H-pyrrolo[2,1-e][1,2,3,4]tetrazole
MOLECULAR FORMULA: C4H6N4
MOLECULAR WEIGHT: 110.11724
SMILES: C1CC2=NN=NN2C1
Structure:
CAS RN: 58640-84-9
CAS Name: 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole
OPENEYE Name: 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole
IUPAC Name: 6,7-dihydro-5H-pyrrolo[2,1-e]tetrazole
SYSTEMATIC NAME: 6,7-dihydro-5H-pyrrolo[2,1-e][1,2,3,4]tetrazole
MOLECULAR FORMULA: C4H6N4
MOLECULAR WEIGHT: 110.11724
SMILES: C1CC2=NN=NN2C1
Structure:
CAS RN: 4982-02-9
CAS Name: (1,3-diphenyl-2-imidazolidinyl)-phenylmethanone
OPENEYE Name: (1,3-diphenylimidazolidin-2-yl)-phenyl-methanone
IUPAC Name: (1,3-diphenylimidazolidin-2-yl)-phenylmethanone
SYSTEMATIC NAME: (1,3-diphenylimidazolidin-2-yl)-phenyl-methanone
MOLECULAR FORMULA: C22H20N2O
MOLECULAR WEIGHT: 328.407
SMILES: C1CN(C(N1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 4431-79-2
CAS Name: [(phenylmethylthio)methylthio]methylbenzene
OPENEYE Name: benzylsulfanylmethylsulfanylmethylbenzene
IUPAC Name: benzylsulfanylmethylsulfanylmethylbenzene
SYSTEMATIC NAME: (phenylmethylsulfanyl)methylsulfanylmethylbenzene
MOLECULAR FORMULA: C15H16S2
MOLECULAR WEIGHT: 260.41754
SMILES: C1=CC=C(C=C1)CSCSCC2=CC=CC=C2
Structure:
CAS RN: 55055-34-0
CAS Name: N-(2-anilinoethyl)-N-phenylformamide
OPENEYE Name: N-(2-anilinoethyl)-N-phenyl-formamide
IUPAC Name: N-(2-anilinoethyl)-N-phenylformamide
SYSTEMATIC NAME: N-phenyl-N-(2-phenylazanylethyl)methanamide
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: C1=CC=C(C=C1)NCCN(C=O)C2=CC=CC=C2
Structure:
CAS RN: 3523-51-1
CAS Name: 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]triazole
OPENEYE Name: 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]triazole
IUPAC Name: 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]triazole
SYSTEMATIC NAME: 3-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2,3]triazole
MOLECULAR FORMULA: C11H13N3
MOLECULAR WEIGHT: 187.24102
SMILES: C1CC2C(C1)N(N=N2)C3=CC=CC=C3
Structure:
CAS RN: 1128-99-0
CAS Name: 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dithiol-2-imine
OPENEYE Name: 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dithiol-2-imine
IUPAC Name: 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dithiol-2-imine
SYSTEMATIC NAME: 3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dithiol-2-imine
MOLECULAR FORMULA: C9H15NS2
MOLECULAR WEIGHT: 201.3521
SMILES: C1CCCC2C(CC1)SC(=N)S2
Structure:
CAS RN: 39791-96-3
CAS Name: 2-chloro-5,6-dimethyl-1H-benzimidazole
OPENEYE Name: 2-chloro-5,6-dimethyl-1H-benzimidazole
IUPAC Name: 2-chloro-5,6-dimethyl-1H-benzimidazole
SYSTEMATIC NAME: 2-chloranyl-5,6-dimethyl-1H-benzimidazole
MOLECULAR FORMULA: C9H9ClN2
MOLECULAR WEIGHT: 180.63416
SMILES: CC1=CC2=C(C=C1C)N=C(N2)Cl
Structure:
CAS RN: 22423-14-9
CAS Name: 2-(2-chloro-5,6-dimethyl-1-benzimidazolyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(2-chloro-5,6-dimethyl-benzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(2-chloro-5,6-dimethylbenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(2-chloranyl-5,6-dimethyl-benzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C14H17ClN2O4
MOLECULAR WEIGHT: 312.74878
SMILES: CC1=CC2=C(C=C1C)N(C(=N2)Cl)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 6208-43-1
CAS Name: 2-(phenylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
OPENEYE Name: 2-benzyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
IUPAC Name: 2-benzyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SYSTEMATIC NAME: 2-(phenylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
MOLECULAR FORMULA: C18H18N2
MOLECULAR WEIGHT: 262.34892
SMILES: C1CN(CC2=C1NC3=CC=CC=C23)CC4=CC=CC=C4
Structure:
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