CAS RN: 63828-79-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H16ClN
MOLECULAR WEIGHT: 209.71514
SMILES: CN1CC2CCC1C3=CC=CC=C23.Cl
Structure:
CAS RN: 63815-46-3
CAS Name: 1-[4-[2-hydroxy-3-(2-imino-4-methyl-1-pyridinyl)propoxy]phenyl]-1-propanone
OPENEYE Name: 1-[4-[2-hydroxy-3-(2-imino-4-methyl-1-pyridyl)propoxy]phenyl]propan-1-one
IUPAC Name: 1-[4-[2-hydroxy-3-(2-imino-4-methylpyridin-1-yl)propoxy]phenyl]propan-1-one
SYSTEMATIC NAME: 1-[4-[3-(2-azanylidene-4-methyl-pyridin-1-yl)-2-oxidanyl-propoxy]phenyl]propan-1-one
MOLECULAR FORMULA: C18H22N2O3
MOLECULAR WEIGHT: 314.37888
SMILES: CCC(=O)C1=CC=C(C=C1)OCC(CN2C=CC(=CC2=N)C)O
Structure:
CAS RN: 63795-91-5
CAS Name: 3-methyl-4-phenyl-1H-pyridazin-6-one
OPENEYE Name: 3-methyl-4-phenyl-1H-pyridazin-6-one
IUPAC Name: 3-methyl-4-phenyl-1H-pyridazin-6-one
SYSTEMATIC NAME: 3-methyl-4-phenyl-1H-pyridazin-6-one
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: CC1=NNC(=O)C=C1C2=CC=CC=C2
Structure:
CAS RN: 63787-60-0
CAS Name: 2,2-bis(2,6-dimethylphenyl)-N-[2-[4-(2-hydroxyethyl)-1-piperazinyl]ethyl]acetamide
OPENEYE Name: 2,2-bis(2,6-dimethylphenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide
IUPAC Name: 2,2-bis(2,6-dimethylphenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]acetamide
SYSTEMATIC NAME: 2,2-bis(2,6-dimethylphenyl)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]ethanamide
MOLECULAR FORMULA: C26H37N3O2
MOLECULAR WEIGHT: 423.59088
SMILES: CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)C(=O)NCCN3CCN(CC3)CCO
Structure:
CAS RN: 63787-59-7
CAS Name: 2,2-bis(2,6-dimethylphenyl)-N-[2-(4-methyl-1-piperazinyl)ethyl]acetamide
OPENEYE Name: 2,2-bis(2,6-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
IUPAC Name: 2,2-bis(2,6-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
SYSTEMATIC NAME: 2,2-bis(2,6-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamide
MOLECULAR FORMULA: C25H35N3O
MOLECULAR WEIGHT: 393.5649
SMILES: CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)C(=O)NCCN3CCN(CC3)C
Structure:
CAS RN: 63787-58-6
CAS Name: 2,2-bis(2,6-dimethylphenyl)-N-[2-(1-piperidinyl)ethyl]acetamide
OPENEYE Name: 2,2-bis(2,6-dimethylphenyl)-N-[2-(1-piperidyl)ethyl]acetamide
IUPAC Name: 2,2-bis(2,6-dimethylphenyl)-N-(2-piperidin-1-ylethyl)acetamide
SYSTEMATIC NAME: 2,2-bis(2,6-dimethylphenyl)-N-(2-piperidin-1-ylethyl)ethanamide
MOLECULAR FORMULA: C25H34N2O
MOLECULAR WEIGHT: 378.55026
SMILES: CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)C(=O)NCCN3CCCCC3
Structure:
CAS RN: 63787-57-5
CAS Name: N-[2-(diethylamino)ethyl]-2,2-bis(2,6-dimethylphenyl)acetamide
OPENEYE Name: N-[2-(diethylamino)ethyl]-2,2-bis(2,6-dimethylphenyl)acetamide
IUPAC Name: N-[2-(diethylamino)ethyl]-2,2-bis(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-2,2-bis(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C24H34N2O
MOLECULAR WEIGHT: 366.53956
SMILES: CCN(CC)CCNC(=O)C(C1=C(C=CC=C1C)C)C2=C(C=CC=C2C)C
Structure:
CAS RN: 63779-86-2
CAS Name: 6-chloro-4-nitroso-1,1-dioxo-2,3-dihydro-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
OPENEYE Name: 6-chloro-4-nitroso-1,1-dioxo-2,3-dihydro-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
IUPAC Name: 6-chloro-4-nitroso-1,1-dioxo-2,3-dihydro-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-4-nitroso-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
MOLECULAR FORMULA: C7H7ClN4O5S2
MOLECULAR WEIGHT: 326.73728
SMILES: C1NS(=O)(=O)C2=CC(=C(C=C2N1N=O)Cl)S(=O)(=O)N
Structure:
CAS RN: 63779-60-2
CAS Name: 5-oxo-4,5-diphenyl-4-(2-pyridinylamino)pentanoic acid
OPENEYE Name: 5-oxo-4,5-diphenyl-4-(2-pyridylamino)pentanoic acid
IUPAC Name: 5-oxo-4,5-diphenyl-4-(pyridin-2-ylamino)pentanoic acid
SYSTEMATIC NAME: 5-oxidanylidene-4,5-diphenyl-4-(pyridin-2-ylamino)pentanoic acid
MOLECULAR FORMULA: C22H20N2O3
MOLECULAR WEIGHT: 360.4058
SMILES: C1=CC=C(C=C1)C(=O)C(CCC(=O)O)(C2=CC=CC=C2)NC3=CC=CC=N3
Structure:
CAS RN: 63765-68-4
CAS Name: 3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-14,16-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde
OPENEYE Name: 3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-14,16-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
IUPAC Name: 3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14,16-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: 3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-13-methyl-14,16-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C31H44O10
MOLECULAR WEIGHT: 576.67506
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=COC(=O)C=C6)O)O)C)C=O)O)OC)O
Structure:
CAS RN: 63762-75-4
CAS Name: N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide
OPENEYE Name: N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide
IUPAC Name: N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide
SYSTEMATIC NAME: N-[2-(6-chloranyl-5-methoxy-1H-indol-3-yl)ethyl]propanamide
MOLECULAR FORMULA: C14H17ClN2O2
MOLECULAR WEIGHT: 280.74998
SMILES: CCC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)Cl
Structure:
CAS RN: 63762-06-1
CAS Name: 2-chloro-1-[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]ethanone
OPENEYE Name: 2-chloro-1-[(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]ethanone
IUPAC Name: 2-chloro-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanone
SYSTEMATIC NAME: 2-chloranyl-1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethanone
MOLECULAR FORMULA: C13H16ClNO3S
MOLECULAR WEIGHT: 301.78904
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)CCl
Structure:
CAS RN: 63754-93-8
CAS Name: 5-chloro-3-methyl-N-(2-methylbut-3-yn-2-yl)-2-prop-2-ynoxybenzamide
OPENEYE Name: 5-chloro-N-(1,1-dimethylprop-2-ynyl)-3-methyl-2-prop-2-ynoxy-benzamide
IUPAC Name: 5-chloro-3-methyl-N-(2-methylbut-3-yn-2-yl)-2-prop-2-ynoxybenzamide
SYSTEMATIC NAME: 5-chloranyl-3-methyl-N-(2-methylbut-3-yn-2-yl)-2-prop-2-ynoxy-benzamide
MOLECULAR FORMULA: C16H16ClNO2
MOLECULAR WEIGHT: 289.75674
SMILES: CC1=C(C(=CC(=C1)Cl)C(=O)NC(C)(C)C#C)OCC#C
Structure:
CAS RN: 63754-92-7
CAS Name: 5-chloro-3-methyl-N-(2-methylbut-3-yn-2-yl)-2-prop-2-enoxybenzamide
OPENEYE Name: 2-allyloxy-5-chloro-N-(1,1-dimethylprop-2-ynyl)-3-methyl-benzamide
IUPAC Name: 5-chloro-3-methyl-N-(2-methylbut-3-yn-2-yl)-2-prop-2-enoxybenzamide
SYSTEMATIC NAME: 5-chloranyl-3-methyl-N-(2-methylbut-3-yn-2-yl)-2-prop-2-enoxy-benzamide
MOLECULAR FORMULA: C16H18ClNO2
MOLECULAR WEIGHT: 291.77262
SMILES: CC1=C(C(=CC(=C1)Cl)C(=O)NC(C)(C)C#C)OCC=C
Structure:
CAS RN: 63754-91-6
CAS Name: 5-chloro-2-methoxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
OPENEYE Name: 5-chloro-N-(1,1-dimethylprop-2-ynyl)-2-methoxy-3-methyl-benzamide
IUPAC Name: 5-chloro-2-methoxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
SYSTEMATIC NAME: 5-chloranyl-2-methoxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
MOLECULAR FORMULA: C14H16ClNO2
MOLECULAR WEIGHT: 265.73534
SMILES: CC1=C(C(=CC(=C1)Cl)C(=O)NC(C)(C)C#C)OC
Structure:
CAS RN: 63754-89-2
CAS Name: 5-bromo-N-(3-ethylpent-1-yn-3-yl)-2-hydroxy-3-methylbenzamide
OPENEYE Name: 5-bromo-N-(1,1-diethylprop-2-ynyl)-2-hydroxy-3-methyl-benzamide
IUPAC Name: 5-bromo-N-(3-ethylpent-1-yn-3-yl)-2-hydroxy-3-methylbenzamide
SYSTEMATIC NAME: 5-bromanyl-N-(3-ethylpent-1-yn-3-yl)-3-methyl-2-oxidanyl-benzamide
MOLECULAR FORMULA: C15H18BrNO2
MOLECULAR WEIGHT: 324.21292
SMILES: CCC(CC)(C#C)NC(=O)C1=CC(=CC(=C1O)C)Br
Structure:
CAS RN: 63754-87-0
CAS Name: 5-bromo-2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
OPENEYE Name: 5-bromo-N-(1,1-dimethylprop-2-ynyl)-2-hydroxy-3-methyl-benzamide
IUPAC Name: 5-bromo-2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
SYSTEMATIC NAME: 5-bromanyl-3-methyl-N-(2-methylbut-3-yn-2-yl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C13H14BrNO2
MOLECULAR WEIGHT: 296.15976
SMILES: CC1=C(C(=CC(=C1)Br)C(=O)NC(C)(C)C#C)O
Structure:
CAS RN: 63735-85-3
CAS Name: 6-(4-nitrophenyl)-2-imidazo[2,1-b][1,3,4]thiadiazolesulfonamide
OPENEYE Name: 6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
IUPAC Name: 6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
SYSTEMATIC NAME: 6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
MOLECULAR FORMULA: C10H7N5O4S2
MOLECULAR WEIGHT: 325.32368
SMILES: C1=CC(=CC=C1C2=CN3C(=N2)SC(=N3)S(=O)(=O)N)[N+](=O)[O-]
Structure:
CAS RN: 63732-98-9
CAS Name: dibismuth potassium sodium (2R,3R)-2,3-dihydroxybutanedioate
OPENEYE Name: dibismuth potassium sodium (2R,3R)-2,3-dihydroxybutanedioate
IUPAC Name: dibismuth potassium sodium (2R,3R)-2,3-dihydroxybutanedioate
SYSTEMATIC NAME: dibismuth potassium sodium (2R,3R)-2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C8H8Bi2KNaO12+4
MOLECULAR WEIGHT: 776.19075
SMILES: [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[Na+].[K+].[Bi+3].[Bi+3]
Structure:
CAS RN: 63732-51-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H46Cl2N2O2
MOLECULAR WEIGHT: 609.66864
SMILES: C1CCC23CCN(C(C2C1)CC4=C3C=C(C=C4)O)CC#CCN5CCC67CCCCC6C5CC8=C7C=C(C=C8)O.Cl.Cl
Structure:
CAS RN: 63732-31-0
CAS Name: tris(1-phenylcyclohexyl) borate
OPENEYE Name: tris(1-phenylcyclohexyl) borate
IUPAC Name: tris(1-phenylcyclohexyl) borate
SYSTEMATIC NAME: tris(1-phenylcyclohexyl) borate
MOLECULAR FORMULA: C36H45BO3
MOLECULAR WEIGHT: 536.5517
SMILES: B(OC1(CCCCC1)C2=CC=CC=C2)(OC3(CCCCC3)C4=CC=CC=C4)OC5(CCCCC5)C6=CC=CC=C6
Structure:
CAS RN: 63732-07-0
CAS Name: (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]-1-oxopentyl]amino]-6-(4-amino-2-oxo-1-pyrimidinyl)-3,6-dihydro-2H-pyran-2-carboxylic acid; 1-dodecanesulfonic acid
OPENEYE Name: (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid; dodecane-1-sulfonic acid
IUPAC Name: (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid; dodecane-1-sulfonic acid
SYSTEMATIC NAME: (2S,3S,6R)-3-[[(3S)-3-azanyl-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid; dodecane-1-sulfonic acid
MOLECULAR FORMULA: C29H52N8O8S
MOLECULAR WEIGHT: 672.83698
SMILES: CCCCCCCCCCCCS(=O)(=O)O.CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N
Structure:
CAS RN: 63731-86-2
CAS Name: 3-(1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-2-yl)propyl-trimethylammonium dibromide
OPENEYE Name: 3-(1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-2-yl)propyl-trimethyl-ammonium dibromide
IUPAC Name: 3-(1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-2-yl)propyl-trimethylazanium dibromide
SYSTEMATIC NAME: 3-(1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-2-yl)propyl-trimethyl-azanium dibromide
MOLECULAR FORMULA: C19H31Br2N3
MOLECULAR WEIGHT: 461.27754
SMILES: CC1C2=C(CC[N+]1(C)CCC[N+](C)(C)C)C3=CC=CC=C3N2.[Br-].[Br-]
Structure:
CAS RN: 63722-64-5
CAS Name: 2-(2,2-dicyclohexylethyl)pyrrolidine hydrochloride
OPENEYE Name: 2-(2,2-dicyclohexylethyl)pyrrolidine hydrochloride
IUPAC Name: 2-(2,2-dicyclohexylethyl)pyrrolidine hydrochloride
SYSTEMATIC NAME: 2-(2,2-dicyclohexylethyl)pyrrolidine hydrochloride
MOLECULAR FORMULA: C18H34ClN
MOLECULAR WEIGHT: 299.92226
SMILES: C1CCC(CC1)C(CC2CCCN2)C3CCCCC3.Cl
Structure:
CAS RN: 63719-23-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18N2
MOLECULAR WEIGHT: 226.31682
SMILES: C[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)NC1
Structure:
CAS RN: 63719-19-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H17N3
MOLECULAR WEIGHT: 251.32628
SMILES: C[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C#N
Structure:
CAS RN: 63716-53-0
CAS Name: diethoxy-sulfanylidene-[(2,3,3-trichloro-2-oxanyl)thio]phosphorane
OPENEYE Name: diethoxy-thioxo-(2,3,3-trichlorotetrahydropyran-2-yl)sulfanyl-$l^{5}-phosphane
IUPAC Name: diethoxy-sulfanylidene-(2,3,3-trichlorooxan-2-yl)sulfanyl-$l^{5}-phosphane
SYSTEMATIC NAME: diethoxy-sulfanylidene-[2,3,3-tris(chloranyl)oxan-2-yl]sulfanyl-$l^{5}-phosphane
MOLECULAR FORMULA: C9H16Cl3O3PS2
MOLECULAR WEIGHT: 373.684301
SMILES: CCOP(=S)(OCC)SC1(C(CCCO1)(Cl)Cl)Cl
Structure:
CAS RN: 63716-46-1
CAS Name: 2,2-diphenyl-4-pentenoic acid 1-azabicyclo[2.2.2]octan-2-yl ester hydrochloride
OPENEYE Name: quinuclidin-2-yl 2,2-diphenylpent-4-enoate hydrochloride
IUPAC Name: 1-azabicyclo[2.2.2]octan-2-yl 2,2-diphenylpent-4-enoate hydrochloride
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-2-yl 2,2-diphenylpent-4-enoate hydrochloride
MOLECULAR FORMULA: C24H28ClNO2
MOLECULAR WEIGHT: 397.93762
SMILES: C=CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CC4CCN3CC4.Cl
Structure:
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