CAS RN: 5607-52-3
CAS Name: 5-chloro-2-hydroxy-3-phenyl-N-(2,4,5-trichlorophenyl)benzamide
OPENEYE Name: 5-chloro-2-hydroxy-3-phenyl-N-(2,4,5-trichlorophenyl)benzamide
IUPAC Name: 5-chloro-2-hydroxy-3-phenyl-N-(2,4,5-trichlorophenyl)benzamide
SYSTEMATIC NAME: 5-chloranyl-2-oxidanyl-3-phenyl-N-[2,4,5-tris(chloranyl)phenyl]benzamide
MOLECULAR FORMULA: C19H11Cl4NO2
MOLECULAR WEIGHT: 427.10814
SMILES: C1=CC=C(C=C1)C2=CC(=CC(=C2O)C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl)Cl
Structure:
CAS RN: 5598-30-1
CAS Name: (2S)-5-amino-2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
OPENEYE Name: (2S)-5-amino-2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-5-amino-2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C16H21N3O4
MOLECULAR WEIGHT: 319.35564
SMILES: COC1=CC2=C(C=C1)NC=C2CCN[C@@H](CCC(=O)N)C(=O)O
Structure:
CAS RN: 5588-87-4
CAS Name: 3H-benzo[e]indole-1,2-dione
OPENEYE Name: 3H-benzo[e]indole-1,2-dione
IUPAC Name: 3H-benzo[e]indole-1,2-dione
SYSTEMATIC NAME: 3H-benzo[e]indole-1,2-dione
MOLECULAR FORMULA: C12H7NO2
MOLECULAR WEIGHT: 197.18948
SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=O)N3
Structure:
CAS RN: 5585-52-4
CAS Name: 2-methyl-3-phenyl-2-butanamine hydrochloride
OPENEYE Name: 2-methyl-3-phenyl-butan-2-amine hydrochloride
IUPAC Name: 2-methyl-3-phenylbutan-2-amine hydrochloride
SYSTEMATIC NAME: 2-methyl-3-phenyl-butan-2-amine hydrochloride
MOLECULAR FORMULA: C11H18ClN
MOLECULAR WEIGHT: 199.72032
SMILES: CC(C1=CC=CC=C1)C(C)(C)N.Cl
Structure:
CAS RN: 5584-65-6
CAS Name: 3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-propanamine hydrochloride
OPENEYE Name: 3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine hydrochloride
IUPAC Name: 3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine hydrochloride
SYSTEMATIC NAME: 3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine hydrochloride
MOLECULAR FORMULA: C18H23Cl2NO2
MOLECULAR WEIGHT: 356.28672
SMILES: COC1=C(C=C(C=C1)CNCCCC2=CC=C(C=C2)Cl)OC.Cl
Structure:
CAS RN: 5584-64-5
CAS Name: 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-1-propanamine; oxalic acid
OPENEYE Name: 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-propan-1-amine; oxalic acid
IUPAC Name: 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethylpropan-1-amine; oxalic acid
SYSTEMATIC NAME: 3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-propan-1-amine; ethanedioic acid
MOLECULAR FORMULA: C23H30ClNO6
MOLECULAR WEIGHT: 451.9404
SMILES: CCN(CCCC1=CC=C(C=C1)Cl)CCC2=CC(=C(C=C2)OC)OC.C(=O)(C(=O)O)O
Structure:
CAS RN: 5583-21-1
CAS Name: (1R,8aS)-1-(3-methylphenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
OPENEYE Name: (1R,8aS)-1-(m-tolyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
IUPAC Name: (1R,8aS)-1-(3-methylphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
SYSTEMATIC NAME: (1R,8aS)-1-(3-methylphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
MOLECULAR FORMULA: C14H19BrN2O
MOLECULAR WEIGHT: 311.21746
SMILES: CC1=CC=CC(=C1)[C@@H]2[C@@H]3CCCCN3C(=N)O2.Br
Structure:
CAS RN: 5583-20-0
CAS Name: (1R,8aR)-1-(3-methylphenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
OPENEYE Name: (1R,8aR)-1-(m-tolyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
IUPAC Name: (1R,8aR)-1-(3-methylphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
SYSTEMATIC NAME: (1R,8aR)-1-(3-methylphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
MOLECULAR FORMULA: C14H19BrN2O
MOLECULAR WEIGHT: 311.21746
SMILES: CC1=CC=CC(=C1)[C@@H]2[C@H]3CCCCN3C(=N)O2.Br
Structure:
CAS RN: 5583-19-7
CAS Name: (1R,8aR)-1-(3-methoxyphenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
OPENEYE Name: (1R,8aR)-1-(3-methoxyphenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
IUPAC Name: (1R,8aR)-1-(3-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
SYSTEMATIC NAME: (1R,8aR)-1-(3-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
MOLECULAR FORMULA: C14H19BrN2O2
MOLECULAR WEIGHT: 327.21686
SMILES: COC1=CC=CC(=C1)[C@@H]2[C@H]3CCCCN3C(=N)O2.Br
Structure:
CAS RN: 5583-18-6
CAS Name: (1R,8aS)-1-(3-methoxyphenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
OPENEYE Name: (1R,8aS)-1-(3-methoxyphenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
IUPAC Name: (1R,8aS)-1-(3-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
SYSTEMATIC NAME: (1R,8aS)-1-(3-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
MOLECULAR FORMULA: C14H19BrN2O2
MOLECULAR WEIGHT: 327.21686
SMILES: COC1=CC=CC(=C1)[C@@H]2[C@@H]3CCCCN3C(=N)O2.Br
Structure:
CAS RN: 5583-17-5
CAS Name: (1R,8aR)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
OPENEYE Name: (1R,8aR)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
IUPAC Name: (1R,8aR)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
SYSTEMATIC NAME: (1R,8aR)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
MOLECULAR FORMULA: C14H19BrN2O2
MOLECULAR WEIGHT: 327.21686
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H]3CCCCN3C(=N)O2.Br
Structure:
CAS RN: 5583-16-4
CAS Name: (1R,8aS)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
OPENEYE Name: (1R,8aS)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
IUPAC Name: (1R,8aS)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
SYSTEMATIC NAME: (1R,8aS)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
MOLECULAR FORMULA: C14H19BrN2O2
MOLECULAR WEIGHT: 327.21686
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@@H]3CCCCN3C(=N)O2.Br
Structure:
CAS RN: 5583-12-0
CAS Name: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrochloride
OPENEYE Name: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrochloride
IUPAC Name: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrochloride
SYSTEMATIC NAME: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrochloride
MOLECULAR FORMULA: C13H17ClN2O
MOLECULAR WEIGHT: 252.73988
SMILES: C1CCN2[C@H](C1)[C@H](OC2=N)C3=CC=CC=C3.Cl
Structure:
CAS RN: 75343-55-4
CAS Name: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrochloride
OPENEYE Name: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrochloride
IUPAC Name: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrochloride
SYSTEMATIC NAME: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrochloride
MOLECULAR FORMULA: C13H17ClN2O
MOLECULAR WEIGHT: 252.73988
SMILES: C1CCN2[C@H](C1)[C@H](OC2=N)C3=CC=CC=C3.Cl
Structure:
CAS RN: 5583-11-9
CAS Name: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
OPENEYE Name: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
IUPAC Name: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
SYSTEMATIC NAME: (1R,8aR)-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
MOLECULAR FORMULA: C13H17BrN2O
MOLECULAR WEIGHT: 297.19088
SMILES: C1CCN2[C@H](C1)[C@H](OC2=N)C3=CC=CC=C3.Br
Structure:
CAS RN: 5583-02-8
CAS Name: (1R,8aS)-1-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
OPENEYE Name: (1R,8aS)-1-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrobromide
IUPAC Name: (1R,8aS)-1-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
SYSTEMATIC NAME: (1R,8aS)-1-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide
MOLECULAR FORMULA: C13H16BrClN2O
MOLECULAR WEIGHT: 331.63594
SMILES: C1CCN2[C@@H](C1)[C@H](OC2=N)C3=CC=C(C=C3)Cl.Br
Structure:
CAS RN: 5583-01-7
CAS Name: (1R,8aR)-1-(4-methylphenyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrochloride
OPENEYE Name: (1R,8aR)-1-(p-tolyl)-1,5,6,7,8,8a-hexahydrooxazolo[3,4-a]pyridin-3-imine hydrochloride
IUPAC Name: (1R,8aR)-1-(4-methylphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrochloride
SYSTEMATIC NAME: (1R,8aR)-1-(4-methylphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrochloride
MOLECULAR FORMULA: C14H19ClN2O
MOLECULAR WEIGHT: 266.76646
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3CCCCN3C(=N)O2.Cl
Structure:
CAS RN: 5580-42-7
CAS Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]ethanol dihydrochloride
OPENEYE Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethanol dihydrochloride
IUPAC Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethanol dihydrochloride
SYSTEMATIC NAME: 2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethanol dihydrochloride
MOLECULAR FORMULA: C22H30Cl2F2N2O
MOLECULAR WEIGHT: 447.389206
SMILES: C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCO.Cl.Cl
Structure:
CAS RN: 5574-30-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H26N2O3
MOLECULAR WEIGHT: 378.46414
SMILES: CCO[C@]12C[C@@H]3[C@H]4[C@@H]5CC(=O)N6[C@@H]4C1(CCN2CC3=CCO5)C7=CC=CC=C76
Structure:
CAS RN: 5573-15-9
CAS Name: (5aR,5bS,7aS,10S,11aS,13aR,13bR)-5a,5b,7a,10,13b-pentamethyl-13-oxo-3-propan-2-yl-2,4,5,6,7,8,9,11,11a,13a-decahydro-1H-cyclopenta[a]chrysene-10-carboxylic acid methyl ester
OPENEYE Name: methyl (5aR,5bS,7aS,10S,11aS,13aR,13bR)-3-isopropyl-5a,5b,7a,10,13b-pentamethyl-13-oxo-2,4,5,6,7,8,9,11,11a,13a-decahydro-1H-cyclopenta[a]chrysene-10-carboxylate
IUPAC Name: methyl (5aR,5bS,7aS,10S,11aS,13aR,13bR)-5a,5b,7a,10,13b-pentamethyl-13-oxo-3-propan-2-yl-2,4,5,6,7,8,9,11,11a,13a-decahydro-1H-cyclopenta[a]chrysene-10-carboxylate
SYSTEMATIC NAME: methyl (5aR,5bS,7aS,10S,11aS,13aR,13bR)-5a,5b,7a,10,13b-pentamethyl-13-oxidanylidene-3-propan-2-yl-2,4,5,6,7,8,9,11,11a,13a-decahydro-1H-cyclopenta[a]chrysene-10-carboxylate
MOLECULAR FORMULA: C31H46O3
MOLECULAR WEIGHT: 466.69514
SMILES: CC(C)C1=C2CC[C@@]3([C@@H]([C@]2(CC1)C)C(=O)C=C4[C@]3(CC[C@@]5([C@@H]4C[C@@](CC5)(C)C(=O)OC)C)C)C
Structure:
CAS RN: 5569-36-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24ClNO5
MOLECULAR WEIGHT: 405.87196
SMILES: CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3.Cl
Structure:
CAS RN: 5551-95-1
CAS Name: acetic acid; 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
OPENEYE Name: acetic acid; 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
IUPAC Name: acetic acid; 3-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
SYSTEMATIC NAME: 3-azanyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide; ethanoic acid
MOLECULAR FORMULA: C16H23N3O4
MOLECULAR WEIGHT: 321.37152
SMILES: CC(=O)O.COC1=CC2=C(C=C1)NC=C2CCNC(=O)CCN
Structure:
CAS RN: 5549-75-7
CAS Name: disodium 2-hydroxy-5-[1-(4-hydroxy-3-sulfonatophenyl)-4,5,6,7-tetraiodo-3-oxo-1-isobenzofuranyl]benzenesulfonate
OPENEYE Name: disodium 2-hydroxy-5-[1-(4-hydroxy-3-sulfonato-phenyl)-4,5,6,7-tetraiodo-3-oxo-isobenzofuran-1-yl]benzenesulfonate
IUPAC Name: disodium 2-hydroxy-5-[1-(4-hydroxy-3-sulfonatophenyl)-4,5,6,7-tetraiodo-3-oxo-2-benzofuran-1-yl]benzenesulfonate
SYSTEMATIC NAME: disodium 2-oxidanyl-5-[4,5,6,7-tetrakis(iodanyl)-3-oxidanylidene-1-(4-oxidanyl-3-sulfonato-phenyl)-2-benzofuran-1-yl]benzenesulfonate
MOLECULAR FORMULA: C20H8I4Na2O10S2
MOLECULAR WEIGHT: 1025.99894
SMILES: C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3I)I)I)I)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
Structure:
CAS RN: 5549-23-5
CAS Name: 6-[4-(4,6-diamino-1,3,5-triazin-2-yl)-1-piperazinyl]-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-[4-[4,6-bis(azanyl)-1,3,5-triazin-2-yl]piperazin-1-yl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C10H16N12
MOLECULAR WEIGHT: 304.31444
SMILES: C1CN(CCN1C2=NC(=NC(=N2)N)N)C3=NC(=NC(=N3)N)N
Structure:
CAS RN: 5542-01-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H26ClN3O6S2
MOLECULAR WEIGHT: 552.06274
SMILES: C[C@@]12C(=O)N3[C@@H]4[C@]([C@H](C3(C(=O)N1C)SS2)O)(C5=CC(=C(C(=C5N4C)OC)OC)Cl)O.C1=CC=CC=C1
Structure:
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