CAS RN: 5546-72-5
CAS Name: 1-[3-methyl-2-phenyl-4-(2-phenylethynyl)-1-benzopyran-2-yl]piperidine
OPENEYE Name: 1-[3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]piperidine
IUPAC Name: 1-[3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]piperidine
SYSTEMATIC NAME: 1-[3-methyl-2-phenyl-4-(2-phenylethynyl)chromen-2-yl]piperidine
MOLECULAR FORMULA: C29H27NO
MOLECULAR WEIGHT: 405.53078
SMILES: CC1=C(C2=CC=CC=C2OC1(C3=CC=CC=C3)N4CCCCC4)C#CC5=CC=CC=C5
Structure:
CAS RN: 5545-28-8
CAS Name: N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide
OPENEYE Name: N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxo-ethyl]-1-adamantyl]acetamide
IUPAC Name: N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxoethyl]-1-adamantyl]acetamide
SYSTEMATIC NAME: N-(2-methoxyethyl)-2-[3-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-1-adamantyl]ethanamide
MOLECULAR FORMULA: C20H34N2O4
MOLECULAR WEIGHT: 366.49496
SMILES: COCCNC(=O)CC12CC3CC(C1)CC(C3)(C2)CC(=O)NCCOC
Structure:
CAS RN: 5544-81-0
CAS Name: N-[(1-phenylcyclopentyl)methyl]-2-pyridinamine hydrochloride
OPENEYE Name: N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine hydrochloride
IUPAC Name: N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine hydrochloride
SYSTEMATIC NAME: N-[(1-phenylcyclopentyl)methyl]pyridin-2-amine hydrochloride
MOLECULAR FORMULA: C17H21ClN2
MOLECULAR WEIGHT: 288.81504
SMILES: C1CCC(C1)(CNC2=CC=CC=N2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 5544-32-1
CAS Name: 2-phenoxy-N-(2-thiazolyl)butanamide
OPENEYE Name: 2-phenoxy-N-thiazol-2-yl-butanamide
IUPAC Name: 2-phenoxy-N-(1,3-thiazol-2-yl)butanamide
SYSTEMATIC NAME: 2-phenoxy-N-(1,3-thiazol-2-yl)butanamide
MOLECULAR FORMULA: C13H14N2O2S
MOLECULAR WEIGHT: 262.32746
SMILES: CCC(C(=O)NC1=NC=CS1)OC2=CC=CC=C2
Structure:
CAS RN: 138371-26-3
CAS Name: 1,8-diphenyl-2,7-bis(1-piperidinylmethyl)octane-1,8-dione dihydrochloride
OPENEYE Name: 1,8-diphenyl-2,7-bis(1-piperidylmethyl)octane-1,8-dione dihydrochloride
IUPAC Name: 1,8-diphenyl-2,7-bis(piperidin-1-ylmethyl)octane-1,8-dione dihydrochloride
SYSTEMATIC NAME: 1,8-diphenyl-2,7-bis(piperidin-1-ylmethyl)octane-1,8-dione dihydrochloride
MOLECULAR FORMULA: C32H46Cl2N2O2
MOLECULAR WEIGHT: 561.62584
SMILES: C1CCN(CC1)CC(CCCCC(CN2CCCCC2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 5542-94-9
CAS Name: 1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-(4-nitrophenyl)methanimine
OPENEYE Name: 1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-(4-nitrophenyl)methanimine
IUPAC Name: 1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-(4-nitrophenyl)methanimine
SYSTEMATIC NAME: 1-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-N-(4-nitrophenyl)methanimine
MOLECULAR FORMULA: C28H22N4O2
MOLECULAR WEIGHT: 446.49988
SMILES: C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C=NC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5
Structure:
CAS RN: 418777-08-9
CAS Name: 1-methoxy-N-[(3-methoxyphenyl)methyl]-2-propanamine
OPENEYE Name: 1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
IUPAC Name: 1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
SYSTEMATIC NAME: 1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
MOLECULAR FORMULA: C12H19NO2
MOLECULAR WEIGHT: 209.28476
SMILES: CC(COC)NCC1=CC(=CC=C1)OC
Structure:
CAS RN: 5541-72-0
CAS Name: 1-(4-fluorophenyl)-3-[4-(phenylmethyl)-1-piperidinyl]pyrrolidine-2,5-dione
OPENEYE Name: 3-(4-benzyl-1-piperidyl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
IUPAC Name: 3-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-[4-(phenylmethyl)piperidin-1-yl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C22H23FN2O2
MOLECULAR WEIGHT: 366.428623
SMILES: C1CN(CCC1CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)F
Structure:
CAS RN: 5540-69-2
CAS Name: 3-bicyclo[2.2.1]heptanyl-[4-(4-nitrophenyl)-1-piperazinyl]methanone
OPENEYE Name: [4-(4-nitrophenyl)piperazin-1-yl]-norbornan-2-yl-methanone
IUPAC Name: 3-bicyclo[2.2.1]heptanyl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: 3-bicyclo[2.2.1]heptanyl-[4-(4-nitrophenyl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C18H23N3O3
MOLECULAR WEIGHT: 329.39352
SMILES: C1CC2CC1CC2C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 5540-36-3
CAS Name: 5-(1,3-dioxo-2-isoindolyl)-N1,N3-bis(2-phenylphenyl)benzene-1,3-dicarboxamide
OPENEYE Name: 5-(1,3-dioxoisoindolin-2-yl)-N1,N3-bis(2-phenylphenyl)benzene-1,3-dicarboxamide
IUPAC Name: 5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-dicarboxamide
SYSTEMATIC NAME: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-N1,N3-bis(2-phenylphenyl)benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C40H27N3O4
MOLECULAR WEIGHT: 613.66008
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=CC(=CC(=C3)N4C(=O)C5=CC=CC=C5C4=O)C(=O)NC6=CC=CC=C6C7=CC=CC=C7
Structure:
CAS RN: 5539-97-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H27NO4
MOLECULAR WEIGHT: 477.55038
SMILES: CCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=C(C3(C4=O)C)C5=CC=CC=C5)C6=CC=CC=C6)C
Structure:
CAS RN: 5539-45-7
CAS Name: 4-[4-(4-pentylcyclohexyl)phenyl]benzoic acid
OPENEYE Name: 4-[4-(4-pentylcyclohexyl)phenyl]benzoic acid
IUPAC Name: 4-[4-(4-pentylcyclohexyl)phenyl]benzoic acid
SYSTEMATIC NAME: 4-[4-(4-pentylcyclohexyl)phenyl]benzoic acid
MOLECULAR FORMULA: C24H30O2
MOLECULAR WEIGHT: 350.4938
SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 5538-46-5
CAS Name: 2-amino-4-(2,5-dimethylphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-4-(2,5-dimethylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
IUPAC Name: ethyl 2-amino-4-(2,5-dimethylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-4-(2,5-dimethylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)C)C)C(=O)CCC2)N
Structure:
CAS RN: 5537-96-2
CAS Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
OPENEYE Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-3-hydroxy-indolin-2-one
IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SYSTEMATIC NAME: 3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1H-indol-2-one
MOLECULAR FORMULA: C18H17NO5
MOLECULAR WEIGHT: 327.33128
SMILES: COC1=C(C=C(C=C1)C(=O)CC2(C3=CC=CC=C3NC2=O)O)OC
Structure:
CAS RN: 20989-69-9
CAS Name: 2-[(3-oxo-3-phenylpropyl)amino]acetic acid hydrochloride
OPENEYE Name: 2-[(3-oxo-3-phenyl-propyl)amino]acetic acid hydrochloride
IUPAC Name: 2-[(3-oxo-3-phenylpropyl)amino]acetic acid hydrochloride
SYSTEMATIC NAME: 2-[(3-oxidanylidene-3-phenyl-propyl)amino]ethanoic acid hydrochloride
MOLECULAR FORMULA: C11H14ClNO3
MOLECULAR WEIGHT: 243.68676
SMILES: C1=CC=C(C=C1)C(=O)CCNCC(=O)O.Cl
Structure:
CAS RN: 5537-42-8
CAS Name: 2-[2-[2-[2-[(2-carboxyphenyl)-oxomethoxy]ethyl]-1,3,5,7-tetraoxo-6-pyrrolo[3,4-f]isoindolyl]ethoxy-oxomethyl]benzoic acid
OPENEYE Name: 2-[2-[2-[2-(2-carboxybenzoyl)oxyethyl]-1,3,5,7-tetraoxo-pyrrolo[3,4-f]isoindol-6-yl]ethoxycarbonyl]benzoic acid
IUPAC Name: 2-[2-[2-[2-(2-carboxybenzoyl)oxyethyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]ethoxycarbonyl]benzoic acid
SYSTEMATIC NAME: 2-[2-[2-[2-(2-carboxyphenyl)carbonyloxyethyl]-1,3,5,7-tetrakis(oxidanylidene)pyrrolo[3,4-f]isoindol-6-yl]ethoxycarbonyl]benzoic acid
MOLECULAR FORMULA: C30H20N2O12
MOLECULAR WEIGHT: 600.486
SMILES: C1=CC=C(C(=C1)C(=O)O)C(=O)OCCN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CCOC(=O)C5=CC=CC=C5C(=O)O
Structure:
CAS RN: 5537-38-2
CAS Name: 1'-hydroxy-4',5',5'-trimethyl-1-oxidospiro[6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-4,2'-imidazole]
OPENEYE Name: 1'-hydroxy-4',5',5'-trimethyl-1-oxido-spiro[6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-4,2'-imidazole]
IUPAC Name: 1'-hydroxy-4',5',5'-trimethyl-1-oxidospiro[6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-4,2'-imidazole]
SYSTEMATIC NAME: 4',5',5'-trimethyl-1-oxidanidyl-1'-oxidanyl-spiro[6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-4,2'-imidazole]
MOLECULAR FORMULA: C11H16N4O3
MOLECULAR WEIGHT: 252.26974
SMILES: CC1=NC2(CCCC3=[N+](ON=C32)[O-])N(C1(C)C)O
Structure:
CAS RN: 5537-11-1
CAS Name: 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-methylphenyl)thiazole hydrobromide
OPENEYE Name: 2-[3-(4-chlorophenyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-(p-tolyl)thiazole hydrobromide
IUPAC Name: 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole hydrobromide
SYSTEMATIC NAME: 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole hydrobromide
MOLECULAR FORMULA: C26H23BrClN3S
MOLECULAR WEIGHT: 524.90292
SMILES: CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=NC(=CS4)C5=CC=C(C=C5)C.Br
Structure:
CAS RN: 5535-11-5
CAS Name: N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]-2-furancarboxamide
OPENEYE Name: N-[1-(2-fluoroanilino)-2-oxo-2-phenyl-ethyl]furan-2-carboxamide
IUPAC Name: N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[1-[(2-fluorophenyl)amino]-2-oxidanylidene-2-phenyl-ethyl]furan-2-carboxamide
MOLECULAR FORMULA: C19H15FN2O3
MOLECULAR WEIGHT: 338.332403
SMILES: C1=CC=C(C=C1)C(=O)C(NC2=CC=CC=C2F)NC(=O)C3=CC=CO3
Structure:
CAS RN: 5534-08-7
CAS Name: 1-(3,4-dihydro-1H-2-benzopyran-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine hydrochloride
OPENEYE Name: 1-isochroman-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine hydrochloride
IUPAC Name: 1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine hydrochloride
SYSTEMATIC NAME: 1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine hydrochloride
MOLECULAR FORMULA: C20H26ClNO4
MOLECULAR WEIGHT: 379.87774
SMILES: COC1=CC(=C(C=C1CNCC2C3=CC=CC=C3CCO2)OC)OC.Cl
Structure:
CAS RN: 5533-93-7
CAS Name: N,N-dimethyl-4-[5-(4-nitrophenyl)-2-oxazolidinyl]aniline
OPENEYE Name: N,N-dimethyl-4-[5-(4-nitrophenyl)oxazolidin-2-yl]aniline
IUPAC Name: N,N-dimethyl-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
MOLECULAR FORMULA: C17H19N3O3
MOLECULAR WEIGHT: 313.35106
SMILES: CN(C)C1=CC=C(C=C1)C2NCC(O2)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 5533-59-5
CAS Name: 1-(5-methyl-4,5-dihydrothiazol-2-yl)-3-phenylthiourea
OPENEYE Name: 1-(5-methyl-4,5-dihydrothiazol-2-yl)-3-phenyl-thiourea
IUPAC Name: 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-thiourea
MOLECULAR FORMULA: C11H13N3S2
MOLECULAR WEIGHT: 251.37102
SMILES: CC1CN=C(S1)NC(=S)NC2=CC=CC=C2
Structure:
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