CAS RN: 55691-59-3
CAS Name: [7-phenyl-4-(3-phenylpropyl)heptyl]benzene
OPENEYE Name: [7-phenyl-4-(3-phenylpropyl)heptyl]benzene
IUPAC Name: [7-phenyl-4-(3-phenylpropyl)heptyl]benzene
SYSTEMATIC NAME: [7-phenyl-4-(3-phenylpropyl)heptyl]benzene
MOLECULAR FORMULA: C28H34
MOLECULAR WEIGHT: 370.56956
SMILES: C1=CC=C(C=C1)CCCC(CCCC2=CC=CC=C2)CCCC3=CC=CC=C3
Structure:
CAS RN: 1928-30-9
CAS Name: 2-methyltricosane
OPENEYE Name: 2-methyltricosane
IUPAC Name: 2-methyltricosane
SYSTEMATIC NAME: 2-methyltricosane
MOLECULAR FORMULA: C24H50
MOLECULAR WEIGHT: 338.6538
SMILES: CCCCCCCCCCCCCCCCCCCCCC(C)C
Structure:
CAS RN: 40815-76-7
CAS Name: [chloro(chloromethyl)phosphoryl]benzene
OPENEYE Name: [chloro(chloromethyl)phosphoryl]benzene
IUPAC Name: [chloro(chloromethyl)phosphoryl]benzene
SYSTEMATIC NAME: [chloranyl(chloromethyl)phosphoryl]benzene
MOLECULAR FORMULA: C7H7Cl2OP
MOLECULAR WEIGHT: 209.009641
SMILES: C1=CC=C(C=C1)P(=O)(CCl)Cl
Structure:
CAS RN: 423-72-3
CAS Name: 2-diethoxyphosphoryl-N,N-dimethylethanamine
OPENEYE Name: 2-diethoxyphosphoryl-N,N-dimethyl-ethanamine
IUPAC Name: 2-diethoxyphosphoryl-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-diethoxyphosphoryl-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C8H20NO3P
MOLECULAR WEIGHT: 209.223061
SMILES: CCOP(=O)(CCN(C)C)OCC
Structure:
CAS RN: 2867-48-3
CAS Name: 1-bromo-2-dichlorophosphorylethane
OPENEYE Name: 1-bromo-2-dichlorophosphoryl-ethane
IUPAC Name: 1-bromo-2-dichlorophosphorylethane
SYSTEMATIC NAME: 1-bis(chloranyl)phosphoryl-2-bromanyl-ethane
MOLECULAR FORMULA: C2H4BrCl2OP
MOLECULAR WEIGHT: 225.836321
SMILES: C(CBr)P(=O)(Cl)Cl
Structure:
CAS RN: 27022-97-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H14N2O3
MOLECULAR WEIGHT: 294.30466
SMILES: C1C2C(COC2=O)C(=O)N3C1C4=NC5=CC=CC=C5C=C4C3
Structure:
CAS RN: 34275-02-0
CAS Name: 1-(2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)ethanone
OPENEYE Name: 1-(2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)ethanone
IUPAC Name: 1-(2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)ethanone
SYSTEMATIC NAME: 1-(2,3-dihydropyrrolo[3,2-b]quinolin-1-yl)ethanone
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: CC(=O)N1CCC2=NC3=CC=CC=C3C=C21
Structure:
CAS RN: 34275-23-5
CAS Name: 1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)ethanone
OPENEYE Name: 1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)ethanone
IUPAC Name: 1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)ethanone
SYSTEMATIC NAME: 1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)ethanone
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: CC(=O)N1CC2=CC3=CC=CC=C3N=C2C1
Structure:
CAS RN: 67116-20-5
CAS Name: 6-hydroxy-4-methyl-2-pyranone
OPENEYE Name: 6-hydroxy-4-methyl-pyran-2-one
IUPAC Name: 6-hydroxy-4-methylpyran-2-one
SYSTEMATIC NAME: 4-methyl-6-oxidanyl-pyran-2-one
MOLECULAR FORMULA: C6H6O3
MOLECULAR WEIGHT: 126.11004
SMILES: CC1=CC(=O)OC(=C1)O
Structure:
CAS RN: 41263-74-5
CAS Name: 4-(methylamino)-3-nitrobenzoic acid
OPENEYE Name: 4-(methylamino)-3-nitro-benzoic acid
IUPAC Name: 4-(methylamino)-3-nitrobenzoic acid
SYSTEMATIC NAME: 4-(methylamino)-3-nitro-benzoic acid
MOLECULAR FORMULA: C8H8N2O4
MOLECULAR WEIGHT: 196.16012
SMILES: CNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 41507-56-6
CAS Name: 4-(methylamino)-3-nitrobenzoic acid
OPENEYE Name: 4-(methylamino)-3-nitro-benzoic acid
IUPAC Name: 4-(methylamino)-3-nitrobenzoic acid
SYSTEMATIC NAME: 4-(methylamino)-3-nitro-benzoic acid
MOLECULAR FORMULA: C8H8N2O4
MOLECULAR WEIGHT: 196.16012
SMILES: CNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 30545-89-2
CAS Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(methylthio)-3-oxolanol
OPENEYE Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyl-tetrahydrofuran-3-ol
IUPAC Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyl-oxolan-3-ol
MOLECULAR FORMULA: C11H15N5O3S
MOLECULAR WEIGHT: 297.3335
SMILES: CSC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O
Structure:
CAS RN: 71370-42-8
CAS Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(methylthio)-3-oxolanol
OPENEYE Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyl-tetrahydrofuran-3-ol
IUPAC Name: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyloxolan-3-ol
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylsulfanyl-oxolan-3-ol
MOLECULAR FORMULA: C11H15N5O3S
MOLECULAR WEIGHT: 297.3335
SMILES: CSC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O
Structure:
CAS RN: 27445-19-8
CAS Name: 1-diphenylphosphoryl-2-methyl-3-phenylaziridine
OPENEYE Name: 1-diphenylphosphoryl-2-methyl-3-phenyl-aziridine
IUPAC Name: 1-diphenylphosphoryl-2-methyl-3-phenylaziridine
SYSTEMATIC NAME: 1-diphenylphosphoryl-2-methyl-3-phenyl-aziridine
MOLECULAR FORMULA: C21H20NOP
MOLECULAR WEIGHT: 333.363361
SMILES: CC1C(N1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 564-10-3
CAS Name: morpholine; 1-nitro-2-decanone
OPENEYE Name: morpholine; 1-nitrodecan-2-one
IUPAC Name: morpholine; 1-nitrodecan-2-one
SYSTEMATIC NAME: morpholine; 1-nitrodecan-2-one
MOLECULAR FORMULA: C14H28N2O4
MOLECULAR WEIGHT: 288.38312
SMILES: CCCCCCCCC(=O)C[N+](=O)[O-].C1COCCN1
Structure:
CAS RN: 40180-70-9
CAS Name: 1-(4-methylphenyl)-5-tetrazolamine
OPENEYE Name: 1-(p-tolyl)tetrazol-5-amine
IUPAC Name: 1-(4-methylphenyl)tetrazol-5-amine
SYSTEMATIC NAME: 1-(4-methylphenyl)-1,2,3,4-tetrazol-5-amine
MOLECULAR FORMULA: C8H9N5
MOLECULAR WEIGHT: 175.19056
SMILES: CC1=CC=C(C=C1)N2C(=NN=N2)N
Structure:
CAS RN: 5250-25-9
CAS Name: 2-(1-methyl-5-tetrazolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(1-methyltetrazol-5-yl)acetate
IUPAC Name: ethyl 2-(1-methyltetrazol-5-yl)acetate
SYSTEMATIC NAME: ethyl 2-(1-methyl-1,2,3,4-tetrazol-5-yl)ethanoate
MOLECULAR FORMULA: C6H10N4O2
MOLECULAR WEIGHT: 170.1692
SMILES: CCOC(=O)CC1=NN=NN1C
Structure:
CAS RN: 64043-92-1
CAS Name: pentane-1,3,3,5-tetracarbonitrile
OPENEYE Name: pentane-1,3,3,5-tetracarbonitrile
IUPAC Name: pentane-1,3,3,5-tetracarbonitrile
SYSTEMATIC NAME: pentane-1,3,3,5-tetracarbonitrile
MOLECULAR FORMULA: C9H8N4
MOLECULAR WEIGHT: 172.18662
SMILES: C(CC(CCC#N)(C#N)C#N)C#N
Structure:
CAS RN: 20518-17-6
CAS Name: 2-(4-methylphenyl)sulfonyl-3,5-diphenyl-3,4-dihydropyrazole
OPENEYE Name: 3,5-diphenyl-2-(p-tolylsulfonyl)-3,4-dihydropyrazole
IUPAC Name: 2-(4-methylphenyl)sulfonyl-3,5-diphenyl-3,4-dihydropyrazole
SYSTEMATIC NAME: 2-(4-methylphenyl)sulfonyl-3,5-diphenyl-3,4-dihydropyrazole
MOLECULAR FORMULA: C22H20N2O2S
MOLECULAR WEIGHT: 376.4714
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 142273-18-5
CAS Name: 2-(4-methylphenyl)sulfonyl-1-phenyl-1-propanone
OPENEYE Name: 1-phenyl-2-(p-tolylsulfonyl)propan-1-one
IUPAC Name: 2-(4-methylphenyl)sulfonyl-1-phenylpropan-1-one
SYSTEMATIC NAME: 2-(4-methylphenyl)sulfonyl-1-phenyl-propan-1-one
MOLECULAR FORMULA: C16H16O3S
MOLECULAR WEIGHT: 288.36144
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(C)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 1972-05-0
CAS Name: 1,2,4,5-tetrazine-3,6-diamine
OPENEYE Name: 1,2,4,5-tetrazine-3,6-diamine
IUPAC Name: 1,2,4,5-tetrazine-3,6-diamine
SYSTEMATIC NAME: 1,2,4,5-tetrazine-3,6-diamine
MOLECULAR FORMULA: C2H4N6
MOLECULAR WEIGHT: 112.09336
SMILES: C1(=NN=C(N=N1)N)N
Structure:
CAS RN: 5632-46-2
CAS Name: 2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile
OPENEYE Name: 2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile
IUPAC Name: 2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile
SYSTEMATIC NAME: 2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenyl]propanedinitrile
MOLECULAR FORMULA: C10HF7N2
MOLECULAR WEIGHT: 282.117162
SMILES: C(#N)C(C#N)C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F
Structure:
CAS RN: 15147-64-5
CAS Name: 2,3-dinitrobenzoic acid
OPENEYE Name: 2,3-dinitrobenzoic acid
IUPAC Name: 2,3-dinitrobenzoic acid
SYSTEMATIC NAME: 2,3-dinitrobenzoic acid
MOLECULAR FORMULA: C7H4N2O6
MOLECULAR WEIGHT: 212.11646
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 3030-43-1
CAS Name: 2-[2-(diethylamino)ethoxy]-N,N-diethylethanamine
OPENEYE Name: 2-[2-(diethylamino)ethoxy]-N,N-diethyl-ethanamine
IUPAC Name: 2-[2-(diethylamino)ethoxy]-N,N-diethylethanamine
SYSTEMATIC NAME: 2-[2-(diethylamino)ethoxy]-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C12H28N2O
MOLECULAR WEIGHT: 216.36352
SMILES: CCN(CC)CCOCCN(CC)CC
Structure:
CAS RN: 25965-91-7
CAS Name: 2-(4-cyclohexylbutylamino)-4-(4-cyclohexylbutylimino)-1-naphthalenone
OPENEYE Name: 2-(4-cyclohexylbutylamino)-4-(4-cyclohexylbutylimino)naphthalen-1-one
IUPAC Name: 2-(4-cyclohexylbutylamino)-4-(4-cyclohexylbutylimino)naphthalen-1-one
SYSTEMATIC NAME: 2-(4-cyclohexylbutylamino)-4-(4-cyclohexylbutylimino)naphthalen-1-one
MOLECULAR FORMULA: C30H44N2O
MOLECULAR WEIGHT: 448.68316
SMILES: C1CCC(CC1)CCCCNC2=CC(=NCCCCC3CCCCC3)C4=CC=CC=C4C2=O
Structure:
CAS RN: 3939-23-9
CAS Name: 3-bromo-10H-phenothiazine
OPENEYE Name: 3-bromo-10H-phenothiazine
IUPAC Name: 3-bromo-10H-phenothiazine
SYSTEMATIC NAME: 3-bromanyl-10H-phenothiazine
MOLECULAR FORMULA: C12H8BrNS
MOLECULAR WEIGHT: 278.16762
SMILES: C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)Br
Structure:
CAS RN: 53296-34-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H16
MOLECULAR WEIGHT: 184.27684
SMILES: C1C2C=CC1C3C2C4C3C5CC4C=C5
Structure:
CAS RN: 52289-54-0
CAS Name: 4-methoxy-2-methylbenzaldehyde
OPENEYE Name: 4-methoxy-2-methyl-benzaldehyde
IUPAC Name: 4-methoxy-2-methylbenzaldehyde
SYSTEMATIC NAME: 4-methoxy-2-methyl-benzaldehyde
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC1=C(C=CC(=C1)OC)C=O
Structure:
CAS RN: 19188-64-8
CAS Name: 2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-phenylacetamide
OPENEYE Name: 2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-phenyl-acetamide
IUPAC Name: 2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[3-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C19H22N6O
MOLECULAR WEIGHT: 350.41758
SMILES: CC1(N=C(N=C(N1C2=CC=CC(=C2)CC(=O)NC3=CC=CC=C3)N)N)C
Structure:
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