CAS RN: 305-30-6
CAS Name: N'-phenylbenzenecarboximidamide hydrochloride
OPENEYE Name: N'-phenylbenzamidine hydrochloride
IUPAC Name: N'-phenylbenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: N'-phenylbenzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C13H13ClN2
MOLECULAR WEIGHT: 232.70872
SMILES: C1=CC=C(C=C1)C(=NC2=CC=CC=C2)N.Cl
Structure:
CAS RN: 198-46-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H12
MOLECULAR WEIGHT: 252.30928
SMILES: C1=CC=C2C(=C1)C=C3C4=CC=CC4=CC5=C3C2=CC=C5
Structure:
CAS RN: 151-69-9
CAS Name: acetic acid [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(6S,8R,9S,10R,13S,14S,17R)-6-chloranyl-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C23H29ClO4
MOLECULAR WEIGHT: 404.92696
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)Cl)C)OC(=O)C
Structure:
CAS RN: 151-68-8
CAS Name: acetic acid [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(6S,8R,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)C)OC(=O)C
Structure:
CAS RN: 131-04-4
CAS Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium hydroxide
OPENEYE Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium hydroxide
IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium hydroxide
SYSTEMATIC NAME: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium hydroxide
MOLECULAR FORMULA: C21H23NO5
MOLECULAR WEIGHT: 369.41102
SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC.[OH-]
Structure:
CAS RN: 72-51-5
CAS Name: N,N-diethyl-2-[4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydroiodide
OPENEYE Name: N,N-diethyl-2-[4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydroiodide
IUPAC Name: N,N-diethyl-2-[4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydroiodide
SYSTEMATIC NAME: N,N-diethyl-2-[4-[5-methoxy-2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydroiodide
MOLECULAR FORMULA: C29H34INO3
MOLECULAR WEIGHT: 571.48963
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=C(CC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)OC.I
Structure:
CAS RN: 64-93-7
CAS Name: N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[4-(6-methoxy-2-phenyl-3H-inden-1-yl)phenoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C28H32ClNO2
MOLECULAR WEIGHT: 450.01218
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=C(CC3=C2C=C(C=C3)OC)C4=CC=CC=C4.Cl
Structure:
CAS RN: 64-91-5
CAS Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-3H-inden-1-yl]phenoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C28H32ClNO2
MOLECULAR WEIGHT: 450.01218
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2=C(CC3=CC=CC=C32)C4=CC=C(C=C4)OC.Cl
Structure:
CAS RN: 57-16-9
CAS Name: acetic acid [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(3S,6S,8R,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-3-oxidanyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H36O4
MOLECULAR WEIGHT: 388.54024
SMILES: C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)O)C
Structure:
CAS RN: 53-44-1
CAS Name: 3-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
OPENEYE Name: 3-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
IUPAC Name: 3-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
SYSTEMATIC NAME: 3-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]propanenitrile
MOLECULAR FORMULA: C22H29NO2
MOLECULAR WEIGHT: 339.47116
SMILES: C[C@]12CCC3C(C1CC[C@@H]2OCCC#N)CCC4=C3C=CC(=C4)OC
Structure:
CAS RN: 52-47-1
CAS Name: 2-ethynyl-3a,5a-dimethyl-6-(1,2,2-trifluoroethenyl)-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
OPENEYE Name: 2-ethynyl-3a,5a-dimethyl-6-(1,2,2-trifluorovinyl)-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
IUPAC Name: 2-ethynyl-3a,5a-dimethyl-6-(1,2,2-trifluoroethenyl)-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
SYSTEMATIC NAME: 2-ethynyl-3a,5a-dimethyl-6-[1,2,2-tris(fluoranyl)ethenyl]-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
MOLECULAR FORMULA: C22H29F3O2
MOLECULAR WEIGHT: 382.45967
SMILES: CC12CCC3C(C1CCC2(C(=C(F)F)F)O)CCC4C3(CC(C4)(C#C)O)C
Structure:
CAS RN: 338752-31-1
CAS Name: 5-chloro-N-[2-[4-[[(cyclohexylamino)-oxomethyl]sulfamoyl]phenyl]ethyl]-2-methoxybenzamide; 3-(diaminomethylidene)-1,1-dimethylguanidine; hydrochloride
OPENEYE Name: 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide; 3-(diaminomethylene)-1,1-dimethyl-guanidine; hydrochloride
IUPAC Name: 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide; 3-(diaminomethylidene)-1,1-dimethylguanidine; hydrochloride
SYSTEMATIC NAME: 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine; 5-chloranyl-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-benzamide; hydrochloride
MOLECULAR FORMULA: C27H40Cl2N8O5S
MOLECULAR WEIGHT: 659.6281
SMILES: CN(C)C(=N)N=C(N)N.COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3.Cl
Structure:
CAS RN: 206362-00-7
CAS Name: N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester
OPENEYE Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]carbamate
IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
SYSTEMATIC NAME: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate
MOLECULAR FORMULA: C28H38N2O8S
MOLECULAR WEIGHT: 562.67492
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)OC
Structure:
CAS RN: 99592-39-9
CAS Name: 1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
OPENEYE Name: 1-[2-[(7-chlorobenzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
IUPAC Name: 1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
SYSTEMATIC NAME: 1-[2-[(7-chloranyl-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
MOLECULAR FORMULA: C20H16Cl3N3O4S
MOLECULAR WEIGHT: 500.78274
SMILES: C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)(O)[O-]
Structure:
CAS RN: 5658-50-4
CAS Name: 1-(3,4,5-trimethoxyphenyl)-1-propanone
OPENEYE Name: 1-(3,4,5-trimethoxyphenyl)propan-1-one
IUPAC Name: 1-(3,4,5-trimethoxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-(3,4,5-trimethoxyphenyl)propan-1-one
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: CCC(=O)C1=CC(=C(C(=C1)OC)OC)OC
Structure:
CAS RN: 5658-47-9
CAS Name: 2,2,11,11-tetramethyldodecane-1,12-diol
OPENEYE Name: 2,2,11,11-tetramethyldodecane-1,12-diol
IUPAC Name: 2,2,11,11-tetramethyldodecane-1,12-diol
SYSTEMATIC NAME: 2,2,11,11-tetramethyldodecane-1,12-diol
MOLECULAR FORMULA: C16H34O2
MOLECULAR WEIGHT: 258.43996
SMILES: CC(C)(CCCCCCCCC(C)(C)CO)CO
Structure:
CAS RN: 5638-47-1
CAS Name: N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2$l^{5}-oxazaphospholidin-2-amine
OPENEYE Name: N,N-bis(2-chloroethyl)-2-thioxo-1,3,2$l^{5}-oxazaphospholidin-2-amine
IUPAC Name: N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2$l^{5}-oxazaphospholidin-2-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-sulfanylidene-1,3,2$l^{5}-oxazaphospholidin-2-amine
MOLECULAR FORMULA: C6H13Cl2N2OPS
MOLECULAR WEIGHT: 263.124981
SMILES: C1COP(=S)(N1)N(CCCl)CCCl
Structure:
CAS RN: 5638-46-0
CAS Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphospholidin-2-amine
OPENEYE Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphospholidin-2-amine
IUPAC Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphospholidin-2-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-oxidanylidene-1,3,2$l^{5}-oxazaphospholidin-2-amine
MOLECULAR FORMULA: C6H13Cl2N2O2P
MOLECULAR WEIGHT: 247.059381
SMILES: C1COP(=O)(N1)N(CCCl)CCCl
Structure:
CAS RN: 5610-87-7
CAS Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)-4-piperidinecarboxamide dihydrochloride
OPENEYE Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)piperidine-4-carboxamide dihydrochloride
IUPAC Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)piperidine-4-carboxamide dihydrochloride
SYSTEMATIC NAME: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)piperidine-4-carboxamide dihydrochloride
MOLECULAR FORMULA: C25H36Cl2N4O
MOLECULAR WEIGHT: 479.48554
SMILES: CN(C)C1(CCN(CC1)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)N.Cl.Cl
Structure:
CAS RN: 5608-00-4
CAS Name: 1-(4-propoxyphenyl)-3-(1-pyrrolidinyl)-1-propanone hydrochloride
OPENEYE Name: 1-(4-propoxyphenyl)-3-pyrrolidin-1-yl-propan-1-one hydrochloride
IUPAC Name: 1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one hydrochloride
SYSTEMATIC NAME: 1-(4-propoxyphenyl)-3-pyrrolidin-1-yl-propan-1-one hydrochloride
MOLECULAR FORMULA: C16H24ClNO2
MOLECULAR WEIGHT: 297.82026
SMILES: CCCOC1=CC=C(C=C1)C(=O)CCN2CCCC2.Cl
Structure:
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