CAS RN: 7347-86-6
CAS Name: [2-[2-(1-methyl-1-piperidin-1-iumyl)propoxy]phenyl]-phenylmethanone iodide
OPENEYE Name: [2-[2-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone iodide
IUPAC Name: [2-[2-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenylmethanone iodide
SYSTEMATIC NAME: [2-[2-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone iodide
MOLECULAR FORMULA: C22H28INO2
MOLECULAR WEIGHT: 465.36769
SMILES: CC(COC1=CC=CC=C1C(=O)C2=CC=CC=C2)[N+]3(CCCCC3)C.[I-]
Structure:
CAS RN: 7343-26-2
CAS Name: carboxymethyl(triphenyl)phosphonium chloride
OPENEYE Name: carboxymethyl(triphenyl)phosphonium chloride
IUPAC Name: carboxymethyl(triphenyl)phosphanium chloride
SYSTEMATIC NAME: 2-hydroxy-2-oxoethyl(triphenyl)phosphanium chloride
MOLECULAR FORMULA: C20H18ClO2P
MOLECULAR WEIGHT: 356.782481
SMILES: C1=CC=C(C=C1)[P+](CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 7327-11-9
CAS Name: 1-[2-[(diphenylmethyl)thio]ethyl]piperidine
OPENEYE Name: 1-(2-benzhydrylsulfanylethyl)piperidine
IUPAC Name: 1-(2-benzhydrylsulfanylethyl)piperidine
SYSTEMATIC NAME: 1-[2-(diphenylmethyl)sulfanylethyl]piperidine
MOLECULAR FORMULA: C20H25NS
MOLECULAR WEIGHT: 311.4842
SMILES: C1CCN(CC1)CCSC(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 7319-49-5
CAS Name: 6-(phenylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
OPENEYE Name: 6-benzylpyrido[2,3-d]pyrimidine-2,4-diamine
IUPAC Name: 6-benzylpyrido[2,3-d]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-(phenylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C14H13N5
MOLECULAR WEIGHT: 251.28652
SMILES: C1=CC=C(C=C1)CC2=CN=C3C(=C2)C(=NC(=N3)N)N
Structure:
CAS RN: 7313-19-1
CAS Name: 4-[2-(4-phenyl-1-piperazinyl)ethyl]-6-(1-piperidinyl)-1,3,5-triazin-2-amine
OPENEYE Name: 4-[2-(4-phenylpiperazin-1-yl)ethyl]-6-(1-piperidyl)-1,3,5-triazin-2-amine
IUPAC Name: 4-[2-(4-phenylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-[2-(4-phenylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C20H29N7
MOLECULAR WEIGHT: 367.49116
SMILES: C1CCN(CC1)C2=NC(=NC(=N2)CCN3CCN(CC3)C4=CC=CC=C4)N
Structure:
CAS RN: 7309-51-5
CAS Name: 2-(2-methoxyphenoxy)propanoic acid
OPENEYE Name: 2-(2-methoxyphenoxy)propanoic acid
IUPAC Name: 2-(2-methoxyphenoxy)propanoic acid
SYSTEMATIC NAME: 2-(2-methoxyphenoxy)propanoic acid
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CC(C(=O)O)OC1=CC=CC=C1OC
Structure:
CAS RN: 7300-27-8
CAS Name: 1-azido-4-(4-azidophenyl)sulfonylbenzene
OPENEYE Name: 1-azido-4-(4-azidophenyl)sulfonyl-benzene
IUPAC Name: 1-azido-4-(4-azidophenyl)sulfonylbenzene
SYSTEMATIC NAME: 1-azido-4-(4-azidophenyl)sulfonyl-benzene
MOLECULAR FORMULA: C12H8N6O2S
MOLECULAR WEIGHT: 300.29592
SMILES: C1=CC(=CC=C1N=[N+]=[N-])S(=O)(=O)C2=CC=C(C=C2)N=[N+]=[N-]
Structure:
CAS RN: 7291-94-3
CAS Name: 4-(4-morpholinyl)-6-[2-(4-phenyl-1-piperazinyl)ethyl]-1,3,5-triazin-2-amine
OPENEYE Name: 4-morpholino-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazin-2-amine
IUPAC Name: 4-morpholin-4-yl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-morpholin-4-yl-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C19H27N7O
MOLECULAR WEIGHT: 369.46398
SMILES: C1CN(CCN1CCC2=NC(=NC(=N2)N)N3CCOCC3)C4=CC=CC=C4
Structure:
CAS RN: 7284-68-6
CAS Name: 1-[bis(2-methylpropyl)phosphoryloxy]-4-nitrobenzene
OPENEYE Name: 1-diisobutylphosphoryloxy-4-nitro-benzene
IUPAC Name: 1-[bis(2-methylpropyl)phosphoryloxy]-4-nitrobenzene
SYSTEMATIC NAME: 1-[bis(2-methylpropyl)phosphoryloxy]-4-nitro-benzene
MOLECULAR FORMULA: C14H22NO4P
MOLECULAR WEIGHT: 299.302541
SMILES: CC(C)CP(=O)(CC(C)C)OC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 7284-66-4
CAS Name: 1-dipropylphosphoryloxy-4-nitrobenzene
OPENEYE Name: 1-dipropylphosphoryloxy-4-nitro-benzene
IUPAC Name: 1-dipropylphosphoryloxy-4-nitrobenzene
SYSTEMATIC NAME: 1-dipropylphosphoryloxy-4-nitro-benzene
MOLECULAR FORMULA: C12H18NO4P
MOLECULAR WEIGHT: 271.249381
SMILES: CCCP(=O)(CCC)OC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 7279-55-2
CAS Name: 1-methyl-2-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]pyridin-1-ium diiodide
OPENEYE Name: 1-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridin-1-ium diiodide
IUPAC Name: 1-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridin-1-ium diiodide
SYSTEMATIC NAME: 1-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridin-1-ium diiodide
MOLECULAR FORMULA: C14H24I2N2
MOLECULAR WEIGHT: 474.1627
SMILES: C[N+]1=CC=CC=C1CC[N+]2(CCCCC2)C.[I-].[I-]
Structure:
CAS RN: 7279-54-1
CAS Name: diethyl-methyl-[2-(1-methyl-2-pyridin-1-iumyl)ethyl]ammonium diiodide
OPENEYE Name: diethyl-methyl-[2-(1-methylpyridin-1-ium-2-yl)ethyl]ammonium diiodide
IUPAC Name: diethyl-methyl-[2-(1-methylpyridin-1-ium-2-yl)ethyl]azanium diiodide
SYSTEMATIC NAME: diethyl-methyl-[2-(1-methylpyridin-1-ium-2-yl)ethyl]azanium diiodide
MOLECULAR FORMULA: C13H24I2N2
MOLECULAR WEIGHT: 462.152
SMILES: CC[N+](C)(CC)CCC1=CC=CC=[N+]1C.[I-].[I-]
Structure:
CAS RN: 7279-53-0
CAS Name: 4-methyl-4-[2-(1-methyl-2-pyridin-1-iumyl)ethyl]morpholin-4-ium diiodide
OPENEYE Name: 4-methyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethyl]morpholin-4-ium diiodide
IUPAC Name: 4-methyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethyl]morpholin-4-ium diiodide
SYSTEMATIC NAME: 4-methyl-4-[2-(1-methylpyridin-1-ium-2-yl)ethyl]morpholin-4-ium diiodide
MOLECULAR FORMULA: C13H22I2N2O
MOLECULAR WEIGHT: 476.13552
SMILES: C[N+]1=CC=CC=C1CC[N+]2(CCOCC2)C.[I-].[I-]
Structure:
CAS RN: 7279-52-9
CAS Name: triethyl-[2-(1-ethyl-2-pyridin-1-iumyl)ethyl]ammonium diiodide
OPENEYE Name: triethyl-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]ammonium diiodide
IUPAC Name: triethyl-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]azanium diiodide
SYSTEMATIC NAME: triethyl-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]azanium diiodide
MOLECULAR FORMULA: C15H28I2N2
MOLECULAR WEIGHT: 490.20516
SMILES: CC[N+]1=CC=CC=C1CC[N+](CC)(CC)CC.[I-].[I-]
Structure:
CAS RN: 7275-70-9
CAS Name: 5,6-dimethyl-3-(methylthio)-1,2,4-triazine
OPENEYE Name: 5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine
IUPAC Name: 5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine
SYSTEMATIC NAME: 5,6-dimethyl-3-methylsulfanyl-1,2,4-triazine
MOLECULAR FORMULA: C6H9N3S
MOLECULAR WEIGHT: 155.22076
SMILES: CC1=C(N=NC(=N1)SC)C
Structure:
CAS RN: 7271-83-2
CAS Name: carbamic acid [3-[(4-chlorophenoxy)methyl]-3-oxetanyl]methyl ester
OPENEYE Name: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl carbamate
IUPAC Name: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl carbamate
SYSTEMATIC NAME: [3-[(4-chloranylphenoxy)methyl]oxetan-3-yl]methyl carbamate
MOLECULAR FORMULA: C12H14ClNO4
MOLECULAR WEIGHT: 271.69686
SMILES: C1C(CO1)(COC2=CC=C(C=C2)Cl)COC(=O)N
Structure:
CAS RN: 7271-81-0
CAS Name: [3-[(2-methoxyphenoxy)methyl]-3-oxetanyl]methanol
OPENEYE Name: [3-[(2-methoxyphenoxy)methyl]oxetan-3-yl]methanol
IUPAC Name: [3-[(2-methoxyphenoxy)methyl]oxetan-3-yl]methanol
SYSTEMATIC NAME: [3-[(2-methoxyphenoxy)methyl]oxetan-3-yl]methanol
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: COC1=CC=CC=C1OCC2(COC2)CO
Structure:
CAS RN: 7270-73-7
CAS Name: azepane; 3-nitrobenzoic acid
OPENEYE Name: azepane; 3-nitrobenzoic acid
IUPAC Name: azepane; 3-nitrobenzoic acid
SYSTEMATIC NAME: azepane; 3-nitrobenzoic acid
MOLECULAR FORMULA: C13H18N2O4
MOLECULAR WEIGHT: 266.29302
SMILES: C1CCCNCC1.C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 7262-73-9
CAS Name: 2-[2-(dimethylamino)ethoxy]ethylsulfonyl-diphenylmethanesulfinic acid
OPENEYE Name: 2-[2-(dimethylamino)ethoxy]ethylsulfonyl-diphenyl-methanesulfinic acid
IUPAC Name: 2-[2-(dimethylamino)ethoxy]ethylsulfonyl-diphenylmethanesulfinic acid
SYSTEMATIC NAME: 2-[2-(dimethylamino)ethoxy]ethylsulfonyl-diphenyl-methanesulfinic acid
MOLECULAR FORMULA: C19H25NO5S2
MOLECULAR WEIGHT: 411.5355
SMILES: CN(C)CCOCCS(=O)(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)S(=O)O
Structure:
CAS RN: 7262-69-3
CAS Name: 2-(chloromethyl)-2-[(2-methylphenoxy)methyl]propane-1,3-diol
OPENEYE Name: 2-(chloromethyl)-2-[(2-methylphenoxy)methyl]propane-1,3-diol
IUPAC Name: 2-(chloromethyl)-2-[(2-methylphenoxy)methyl]propane-1,3-diol
SYSTEMATIC NAME: 2-(chloromethyl)-2-[(2-methylphenoxy)methyl]propane-1,3-diol
MOLECULAR FORMULA: C12H17ClO3
MOLECULAR WEIGHT: 244.71458
SMILES: CC1=CC=CC=C1OCC(CO)(CO)CCl
Structure:
CAS RN: 7262-66-0
CAS Name: 2-(chloromethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)propane-1,3-diol
OPENEYE Name: 2-(chloromethyl)-2-(tetralin-6-yloxymethyl)propane-1,3-diol
IUPAC Name: 2-(chloromethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)propane-1,3-diol
SYSTEMATIC NAME: 2-(chloromethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)propane-1,3-diol
MOLECULAR FORMULA: C15H21ClO3
MOLECULAR WEIGHT: 284.77844
SMILES: C1CCC2=C(C1)C=CC(=C2)OCC(CO)(CO)CCl
Structure:
CAS RN: 7258-91-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H16
MOLECULAR WEIGHT: 304.38384
SMILES: C1CC2=C3C1=CC=CC3=C4C=C5C=CC6=CC=CC=C6C5=CC4=C2
Structure:
CAS RN: 7255-87-0
CAS Name: 2-amino-1H-pyrido[2,3-d]pyrimidin-4-one
OPENEYE Name: 2-amino-1H-pyrido[2,3-d]pyrimidin-4-one
IUPAC Name: 2-amino-1H-pyrido[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-1H-pyrido[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C7H6N4O
MOLECULAR WEIGHT: 162.14874
SMILES: C1=CC2=C(NC(=NC2=O)N)N=C1
Structure:
CAS RN: 7239-50-1
CAS Name: ammonium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
OPENEYE Name: ammonium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
IUPAC Name: azanium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
SYSTEMATIC NAME: azanium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
MOLECULAR FORMULA: C30H49NO4
MOLECULAR WEIGHT: 487.71436
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)[O-].[NH4+]
Structure:
CAS RN: 7231-31-4
CAS Name: 5-propyl-1H-pyrazole
OPENEYE Name: 5-propyl-1H-pyrazole
IUPAC Name: 5-propyl-1H-pyrazole
SYSTEMATIC NAME: 5-propyl-1H-pyrazole
MOLECULAR FORMULA: C6H10N2
MOLECULAR WEIGHT: 110.157
SMILES: CCCC1=CC=NN1
Structure:
CAS RN: 7223-45-2
CAS Name: N,N-diethyl-3-methyl-1-pentyn-3-amine
OPENEYE Name: N,N-diethyl-3-methyl-pent-1-yn-3-amine
IUPAC Name: N,N-diethyl-3-methylpent-1-yn-3-amine
SYSTEMATIC NAME: N,N-diethyl-3-methyl-pent-1-yn-3-amine
MOLECULAR FORMULA: C10H19N
MOLECULAR WEIGHT: 153.26456
SMILES: CCC(C)(C#C)N(CC)CC
Structure:
CAS RN: 7221-79-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25N3O
MOLECULAR WEIGHT: 335.4427
SMILES: CN1C[C@@H](C=C2[C@H]1CC3=CN(C4=CC=CC2=C34)C)C(=O)N5CCCC5
Structure:
CAS RN: 7221-31-0
CAS Name: 2-(4-nitroanilino)benzoic acid
OPENEYE Name: 2-(4-nitroanilino)benzoic acid
IUPAC Name: 2-(4-nitroanilino)benzoic acid
SYSTEMATIC NAME: 2-[(4-nitrophenyl)amino]benzoic acid
MOLECULAR FORMULA: C13H10N2O4
MOLECULAR WEIGHT: 258.2295
SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
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