CAS RN: 229020-82-0
CAS Name: 3,8-dichloro-5H-phenanthridin-6-one
OPENEYE Name: 3,8-dichloro-5H-phenanthridin-6-one
IUPAC Name: 3,8-dichloro-5H-phenanthridin-6-one
SYSTEMATIC NAME: 3,8-bis(chloranyl)-5H-phenanthridin-6-one
MOLECULAR FORMULA: C13H7Cl2NO
MOLECULAR WEIGHT: 264.10678
SMILES: C1=CC2=C(C=C1Cl)C(=O)NC3=C2C=CC(=C3)Cl
Structure:
CAS RN: 510-25-8
CAS Name: 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylic acid bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester; sulfuric acid
OPENEYE Name: bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-phenyltetralin-1,4-dicarboxylate; sulfuric acid
IUPAC Name: bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate; sulfuric acid
SYSTEMATIC NAME: bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate; sulfuric acid
MOLECULAR FORMULA: C34H44N2O8S
MOLECULAR WEIGHT: 640.78676
SMILES: CN1C2CCC1CC(C2)OC(=O)C3CCC(C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6CC7CCC(C6)N7C.OS(=O)(=O)O
Structure:
CAS RN: 1882-72-0
CAS Name: 2-[[[4-[3-(2-acetamido-4-oxo-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[[4-[3-(2-acetamido-4-oxo-1H-pteridin-6-yl)propyl-(p-tolylsulfonyl)amino]benzoyl]amino]pentanedioate
IUPAC Name: diethyl 2-[[4-[3-(2-acetamido-4-oxo-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl 2-[[4-[3-(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)propyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C34H39N7O9S
MOLECULAR WEIGHT: 721.77996
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CCCC2=CN=C3C(=N2)C(=O)N=C(N3)NC(=O)C)S(=O)(=O)C4=CC=C(C=C4)C
Structure:
CAS RN: 16950-50-8
CAS Name: 5-[bis(2-fluoroethyl)amino]-1,3-bis(phenylmethyl)pyrimidine-2,4-dione
OPENEYE Name: 1,3-dibenzyl-5-[bis(2-fluoroethyl)amino]pyrimidine-2,4-dione
IUPAC Name: 1,3-dibenzyl-5-[bis(2-fluoroethyl)amino]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[bis(2-fluoranylethyl)amino]-1,3-bis(phenylmethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C22H23F2N3O2
MOLECULAR WEIGHT: 399.433726
SMILES: C1=CC=C(C=C1)CN2C=C(C(=O)N(C2=O)CC3=CC=CC=C3)N(CCF)CCF
Structure:
CAS RN: 23111-70-8
CAS Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-3-nitroanilino]ethyl ester
OPENEYE Name: 2-[N-(2-methylsulfonyloxyethyl)-3-nitro-anilino]ethyl methanesulfonate
IUPAC Name: 2-[N-(2-methylsulfonyloxyethyl)-3-nitroanilino]ethyl methanesulfonate
SYSTEMATIC NAME: 2-[2-methylsulfonyloxyethyl-(3-nitrophenyl)amino]ethyl methanesulfonate
MOLECULAR FORMULA: C12H18N2O8S2
MOLECULAR WEIGHT: 382.40992
SMILES: CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=CC=C1)[N+](=O)[O-]
Structure:
CAS RN: 15831-62-6
CAS Name: 2-hydroxy-N-(2-hydroxyethyl)-N-(phenylmethyl)ethanamine oxide
OPENEYE Name: N-benzyl-2-hydroxy-N-(2-hydroxyethyl)ethanamine oxide
IUPAC Name: N-benzyl-2-hydroxy-N-(2-hydroxyethyl)ethanamine oxide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-2-oxidanyl-N-(phenylmethyl)ethanamine oxide
MOLECULAR FORMULA: C11H17NO3
MOLECULAR WEIGHT: 211.25758
SMILES: C1=CC=C(C=C1)C[N+](CCO)(CCO)[O-]
Structure:
CAS RN: 42516-28-9
CAS Name: 4-diethoxyphosphoryl-2-butenoic acid ethyl ester
OPENEYE Name: ethyl 4-diethoxyphosphorylbut-2-enoate
IUPAC Name: ethyl 4-diethoxyphosphorylbut-2-enoate
SYSTEMATIC NAME: ethyl 4-diethoxyphosphorylbut-2-enoate
MOLECULAR FORMULA: C10H19O5P
MOLECULAR WEIGHT: 250.228621
SMILES: CCOC(=O)C=CCP(=O)(OCC)OCC
Structure:
CAS RN: 1946-09-4
CAS Name: N-diethoxyphosphorylethanamine
OPENEYE Name: N-diethoxyphosphorylethanamine
IUPAC Name: N-diethoxyphosphorylethanamine
SYSTEMATIC NAME: N-diethoxyphosphorylethanamine
MOLECULAR FORMULA: C6H16NO3P
MOLECULAR WEIGHT: 181.169901
SMILES: CCNP(=O)(OCC)OCC
Structure:
CAS RN: 14782-61-7
CAS Name: [1-[(dimethylamino)methyl]-2-naphthalenyl]-diphenylmethanol
OPENEYE Name: [1-[(dimethylamino)methyl]-2-naphthyl]-diphenyl-methanol
IUPAC Name: [1-[(dimethylamino)methyl]naphthalen-2-yl]-diphenylmethanol
SYSTEMATIC NAME: [1-[(dimethylamino)methyl]naphthalen-2-yl]-diphenyl-methanol
MOLECULAR FORMULA: C26H25NO
MOLECULAR WEIGHT: 367.4828
SMILES: CN(C)CC1=C(C=CC2=CC=CC=C21)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
Structure:
CAS RN: 10136-65-9
CAS Name: [5-chloro-2-[(dimethylamino)methyl]phenyl]-diphenylmethanol
OPENEYE Name: [5-chloro-2-[(dimethylamino)methyl]phenyl]-diphenyl-methanol
IUPAC Name: [5-chloro-2-[(dimethylamino)methyl]phenyl]-diphenylmethanol
SYSTEMATIC NAME: [5-chloranyl-2-[(dimethylamino)methyl]phenyl]-diphenyl-methanol
MOLECULAR FORMULA: C22H22ClNO
MOLECULAR WEIGHT: 351.86918
SMILES: CN(C)CC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 28711-15-1
CAS Name: [2-(methylaminomethyl)phenyl]-diphenylmethanol
OPENEYE Name: [2-(methylaminomethyl)phenyl]-diphenyl-methanol
IUPAC Name: [2-(methylaminomethyl)phenyl]-diphenylmethanol
SYSTEMATIC NAME: [2-(methylaminomethyl)phenyl]-diphenyl-methanol
MOLECULAR FORMULA: C21H21NO
MOLECULAR WEIGHT: 303.39754
SMILES: CNCC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 14401-75-3
CAS Name: 3-imino-N,3-diphenylpropanamide
OPENEYE Name: 3-imino-N,3-diphenyl-propanamide
IUPAC Name: 3-imino-N,3-diphenylpropanamide
SYSTEMATIC NAME: 3-azanylidene-N,3-diphenyl-propanamide
MOLECULAR FORMULA: C15H14N2O
MOLECULAR WEIGHT: 238.28446
SMILES: C1=CC=C(C=C1)C(=N)CC(=O)NC2=CC=CC=C2
Structure:
CAS RN: 5505-00-0
CAS Name: 2-(2-phenylethyl)benzonitrile
OPENEYE Name: 2-(2-phenylethyl)benzonitrile
IUPAC Name: 2-(2-phenylethyl)benzonitrile
SYSTEMATIC NAME: 2-(2-phenylethyl)benzenecarbonitrile
MOLECULAR FORMULA: C15H13N
MOLECULAR WEIGHT: 207.27042
SMILES: C1=CC=C(C=C1)CCC2=CC=CC=C2C#N
Structure:
CAS RN: 10517-64-3
CAS Name: 2-phenacylbenzonitrile
OPENEYE Name: 2-phenacylbenzonitrile
IUPAC Name: 2-phenacylbenzonitrile
SYSTEMATIC NAME: 2-phenacylbenzenecarbonitrile
MOLECULAR FORMULA: C15H11NO
MOLECULAR WEIGHT: 221.25394
SMILES: C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2C#N
Structure:
CAS RN: 38222-85-4
CAS Name: N,N-dimethyl-1-pyridin-4-ylmethanamine
OPENEYE Name: N,N-dimethyl-1-(4-pyridyl)methanamine
IUPAC Name: N,N-dimethyl-1-pyridin-4-ylmethanamine
SYSTEMATIC NAME: N,N-dimethyl-1-pyridin-4-yl-methanamine
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CN(C)CC1=CC=NC=C1
Structure:
CAS RN: 30265-59-9
CAS Name: 5-amino-1,3-dimethyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-amino-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-amino-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-azanyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C6H9N3O3
MOLECULAR WEIGHT: 171.15396
SMILES: CN1C(=O)C(C(=O)N(C1=O)C)N
Structure:
CAS RN: 13470-07-0
CAS Name: 2-[2,6-bis(phenylmethoxy)-3-pyridinyl]-5-(hydroxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
OPENEYE Name: 2-(2,6-dibenzyloxy-3-pyridyl)-5-(hydroxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
IUPAC Name: 2-[2,6-bis(phenylmethoxy)pyridin-3-yl]-5-(hydroxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SYSTEMATIC NAME: 2-[2,6-bis(phenylmethoxy)pyridin-3-yl]-5-(hydroxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
MOLECULAR FORMULA: C31H29NO7
MOLECULAR WEIGHT: 527.56446
SMILES: C1=CC=C(C=C1)COC2=NC(=C(C=C2)C3(OC4C(C(OC4O3)CO)O)C5=CC=CC=C5)OCC6=CC=CC=C6
Structure:
CAS RN: 25468-43-3
CAS Name: N-(phenylmethyl)-1-pentanamine
OPENEYE Name: N-benzylpentan-1-amine
IUPAC Name: N-benzylpentan-1-amine
SYSTEMATIC NAME: N-(phenylmethyl)pentan-1-amine
MOLECULAR FORMULA: C12H19N
MOLECULAR WEIGHT: 177.28596
SMILES: CCCCCNCC1=CC=CC=C1
Structure:
CAS RN: 14789-51-6
CAS Name: 2-[2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl]-2-methylcyclopentane-1,3-dione
OPENEYE Name: 2-[2-(5-methoxyindan-1-ylidene)ethyl]-2-methyl-cyclopentane-1,3-dione
IUPAC Name: 2-[2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl]-2-methylcyclopentane-1,3-dione
SYSTEMATIC NAME: 2-[2-(5-methoxy-2,3-dihydroinden-1-ylidene)ethyl]-2-methyl-cyclopentane-1,3-dione
MOLECULAR FORMULA: C18H20O3
MOLECULAR WEIGHT: 284.3496
SMILES: CC1(C(=O)CCC1=O)CC=C2CCC3=C2C=CC(=C3)OC
Structure:
CAS RN: 35845-67-1
CAS Name: 6-[6-chloro-2-(methylthio)-9-purinyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
OPENEYE Name: 6-(6-chloro-2-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
IUPAC Name: 6-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
SYSTEMATIC NAME: 6-(6-chloranyl-2-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
MOLECULAR FORMULA: C12H13ClN4O3S
MOLECULAR WEIGHT: 328.77462
SMILES: CSC1=NC2=C(C(=N1)Cl)N=CN2C3C=CC(C(O3)CO)O
Structure:
CAS RN: 384-26-9
CAS Name: (phenylmethyl)sulfinylmethylsulfinylmethylbenzene
OPENEYE Name: benzylsulfinylmethylsulfinylmethylbenzene
IUPAC Name: benzylsulfinylmethylsulfinylmethylbenzene
SYSTEMATIC NAME: (phenylmethyl)sulfinylmethylsulfinylmethylbenzene
MOLECULAR FORMULA: C15H16O2S2
MOLECULAR WEIGHT: 292.41634
SMILES: C1=CC=C(C=C1)CS(=O)CS(=O)CC2=CC=CC=C2
Structure:
CAS RN: 778-40-5
CAS Name: 2-methyl-1-(2,3,5,6-tetramethylphenyl)-1-propanone
OPENEYE Name: 2-methyl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
IUPAC Name: 2-methyl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
SYSTEMATIC NAME: 2-methyl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
MOLECULAR FORMULA: C14H20O
MOLECULAR WEIGHT: 204.308
SMILES: CC1=CC(=C(C(=C1C)C(=O)C(C)C)C)C
Structure:
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