CAS RN: 5660-41-3
CAS Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid
OPENEYE Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid
IUPAC Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoic acid
MOLECULAR FORMULA: C15H13NO4
MOLECULAR WEIGHT: 271.26802
SMILES: C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC=C3C(=O)O
Structure:
CAS RN: 5660-33-3
CAS Name: [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
OPENEYE Name: [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenyl-methanone
IUPAC Name: [5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
SYSTEMATIC NAME: [5-oxidanyl-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenyl-methanone
MOLECULAR FORMULA: C17H13F3N2O2
MOLECULAR WEIGHT: 334.29253
SMILES: C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 5660-00-4
CAS Name: N-(4-methoxyphenyl)-4-[4-oxo-3-(phenylmethyl)-2-thiazolidinyl]benzamide
OPENEYE Name: 4-(3-benzyl-4-oxo-thiazolidin-2-yl)-N-(4-methoxyphenyl)benzamide
IUPAC Name: 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(4-methoxyphenyl)benzamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-4-[4-oxidanylidene-3-(phenylmethyl)-1,3-thiazolidin-2-yl]benzamide
MOLECULAR FORMULA: C24H22N2O3S
MOLECULAR WEIGHT: 418.50808
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3N(C(=O)CS3)CC4=CC=CC=C4
Structure:
CAS RN: 5659-90-5
CAS Name: N-[4-(1-adamantyl)-5-methyl-2-thiazolyl]-4-methylbenzamide
OPENEYE Name: N-[4-(1-adamantyl)-5-methyl-thiazol-2-yl]-4-methyl-benzamide
IUPAC Name: N-[4-(1-adamantyl)-5-methyl-1,3-thiazol-2-yl]-4-methylbenzamide
SYSTEMATIC NAME: N-[4-(1-adamantyl)-5-methyl-1,3-thiazol-2-yl]-4-methyl-benzamide
MOLECULAR FORMULA: C22H26N2OS
MOLECULAR WEIGHT: 366.51964
SMILES: CC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C)C34CC5CC(C3)CC(C5)C4
Structure:
CAS RN: 36103-96-5
CAS Name: 3-phenyl-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
OPENEYE Name: 3-phenyl-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
IUPAC Name: 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole hydrobromide
SYSTEMATIC NAME: 3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole hydrobromide
MOLECULAR FORMULA: C11H11BrN2S
MOLECULAR WEIGHT: 283.18744
SMILES: C1CN2C(=CSC2=N1)C3=CC=CC=C3.Br
Structure:
CAS RN: 5658-21-9
CAS Name: 2-(2-imino-3-propyl-1-benzimidazolyl)ethanol hydrochloride
OPENEYE Name: 2-(2-imino-3-propyl-benzimidazol-1-yl)ethanol hydrochloride
IUPAC Name: 2-(2-imino-3-propylbenzimidazol-1-yl)ethanol hydrochloride
SYSTEMATIC NAME: 2-(2-azanylidene-3-propyl-benzimidazol-1-yl)ethanol hydrochloride
MOLECULAR FORMULA: C12H18ClN3O
MOLECULAR WEIGHT: 255.74382
SMILES: CCCN1C2=CC=CC=C2N(C1=N)CCO.Cl
Structure:
CAS RN: 5657-57-8
CAS Name: 5-tert-butyl-5-hydroxy-1-[(3-nitrophenyl)-oxomethyl]-4H-pyrazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-tert-butyl-5-hydroxy-1-(3-nitrobenzoyl)-4H-pyrazole-3-carboxylate
IUPAC Name: ethyl 5-tert-butyl-5-hydroxy-1-(3-nitrobenzoyl)-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-tert-butyl-1-(3-nitrophenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C17H21N3O6
MOLECULAR WEIGHT: 363.36514
SMILES: CCOC(=O)C1=NN(C(C1)(C(C)(C)C)O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 5656-39-3
CAS Name: 4-(4-chlorophenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate
IUPAC Name: ethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4,4a-dihydroindeno[1,2-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C22H18ClNO3
MOLECULAR WEIGHT: 379.83622
SMILES: CCOC(=O)C1=C(N=C2C(C1C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C42)C
Structure:
CAS RN: 5655-35-6
CAS Name: N-(4-phenoxyphenyl)-4-phenyl-2-thiazolamine hydrobromide
OPENEYE Name: N-(4-phenoxyphenyl)-4-phenyl-thiazol-2-amine hydrobromide
IUPAC Name: N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine hydrobromide
SYSTEMATIC NAME: N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine hydrobromide
MOLECULAR FORMULA: C21H17BrN2OS
MOLECULAR WEIGHT: 425.34148
SMILES: C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4.Br
Structure:
CAS RN: 33723-33-0
CAS Name: 3-[1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
OPENEYE Name: 3-[1-(4-methoxyphenyl)-2-nitro-ethyl]-1H-indole
IUPAC Name: 3-[1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
SYSTEMATIC NAME: 3-[1-(4-methoxyphenyl)-2-nitro-ethyl]-1H-indole
MOLECULAR FORMULA: C17H16N2O3
MOLECULAR WEIGHT: 296.32054
SMILES: COC1=CC=C(C=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32
Structure:
CAS RN: 5652-89-1
CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
OPENEYE Name: 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C18H15FN2O4
MOLECULAR WEIGHT: 342.321103
SMILES: C1C(C(=O)N(C1=O)C2=CC=C(C=C2)F)NCC3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 5652-67-5
CAS Name: (2,6-dimethyl-4-morpholinyl)-(4-methoxy-3-nitrophenyl)methanone
OPENEYE Name: (2,6-dimethylmorpholin-4-yl)-(4-methoxy-3-nitro-phenyl)methanone
IUPAC Name: (2,6-dimethylmorpholin-4-yl)-(4-methoxy-3-nitrophenyl)methanone
SYSTEMATIC NAME: (2,6-dimethylmorpholin-4-yl)-(4-methoxy-3-nitro-phenyl)methanone
MOLECULAR FORMULA: C14H18N2O5
MOLECULAR WEIGHT: 294.30312
SMILES: CC1CN(CC(O1)C)C(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]
Structure:
CAS RN: 5651-70-7
CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[4-(4-morpholinylsulfonyl)phenyl]-2-thiazolamine hydrobromide
OPENEYE Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(4-morpholinosulfonylphenyl)thiazol-2-amine hydrobromide
IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine hydrobromide
SYSTEMATIC NAME: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine hydrobromide
MOLECULAR FORMULA: C21H23BrClN3O5S2
MOLECULAR WEIGHT: 576.91142
SMILES: COC1=CC(=C(C=C1NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)OC)Cl.Br
Structure:
CAS RN: 5651-04-7
CAS Name: 2-hydroxy-4-oxo-N-(1-phenylethyl)-1-propyl-3-quinolinecarboxamide
OPENEYE Name: 2-hydroxy-4-oxo-N-(1-phenylethyl)-1-propyl-quinoline-3-carboxamide
IUPAC Name: 2-hydroxy-4-oxo-N-(1-phenylethyl)-1-propylquinoline-3-carboxamide
SYSTEMATIC NAME: 2-oxidanyl-4-oxidanylidene-N-(1-phenylethyl)-1-propyl-quinoline-3-carboxamide
MOLECULAR FORMULA: C21H22N2O3
MOLECULAR WEIGHT: 350.41098
SMILES: CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC(C)C3=CC=CC=C3
Structure:
CAS RN: 5650-95-3
CAS Name: 2-amino-4-(5-methyl-2-thiophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
OPENEYE Name: 2-amino-4-(5-methyl-2-thienyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
IUPAC Name: 2-amino-4-(5-methylthiophen-2-yl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(5-methylthiophen-2-yl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
MOLECULAR FORMULA: C18H16N4S
MOLECULAR WEIGHT: 320.41144
SMILES: CC1=CC=C(S1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N
Structure:
CAS RN: 4185-27-7
CAS Name: 4-[1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-[1-(4-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazine-1-carboxylate
IUPAC Name: ethyl 4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[1-(4-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazine-1-carboxylate
MOLECULAR FORMULA: C17H20FN3O4
MOLECULAR WEIGHT: 349.356803
SMILES: CCOC(=O)N1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)F
Structure:
CAS RN: 5649-70-7
CAS Name: 2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
IUPAC Name: ethyl 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate
MOLECULAR FORMULA: C17H18BrNO4S
MOLECULAR WEIGHT: 412.29812
SMILES: CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(S3)C)Br)C(=O)CCC2)N
Structure:
CAS RN: 5649-64-9
CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(pyridin-4-ylmethyl)propanamide
OPENEYE Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(4-pyridylmethyl)propanamide
IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-4-ylmethyl)propanamide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(pyridin-4-ylmethyl)propanamide
MOLECULAR FORMULA: C17H15N3O3
MOLECULAR WEIGHT: 309.3193
SMILES: CC(C(=O)NCC1=CC=NC=C1)N2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 5649-53-6
CAS Name: N-(4-bromophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
OPENEYE Name: N-(4-bromophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
IUPAC Name: N-(4-bromophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SYSTEMATIC NAME: N-(4-bromophenyl)-2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanamide
MOLECULAR FORMULA: C16H13BrN2O2S
MOLECULAR WEIGHT: 377.25562
SMILES: C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)Br
Structure:
CAS RN: 5648-85-1
CAS Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-2-thiazolamine hydrobromide
OPENEYE Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)thiazol-2-amine hydrobromide
IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine hydrobromide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine hydrobromide
MOLECULAR FORMULA: C16H12BrFN2O2S
MOLECULAR WEIGHT: 395.246083
SMILES: C1OC2=C(O1)C=C(C=C2)NC3=NC(=CS3)C4=CC=C(C=C4)F.Br
Structure:
CAS RN: 5648-69-1
CAS Name: 4-(5-ethyl-2-thiophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(5-ethyl-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
IUPAC Name: ethyl 4-(5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C21H27NO3S
MOLECULAR WEIGHT: 373.50898
SMILES: CCC1=CC=C(S1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C
Structure:
CAS RN: 5648-16-8
CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(diphenylmethyl)propanamide
OPENEYE Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydryl-propanamide
IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide
SYSTEMATIC NAME: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(diphenylmethyl)propanamide
MOLECULAR FORMULA: C18H18N4OS2
MOLECULAR WEIGHT: 370.49172
SMILES: CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C(S3)N
Structure:
CAS RN: 30836-61-4
CAS Name: diphenyl(2-quinolinyl)methanol
OPENEYE Name: diphenyl(2-quinolyl)methanol
IUPAC Name: diphenyl(quinolin-2-yl)methanol
SYSTEMATIC NAME: diphenyl(quinolin-2-yl)methanol
MOLECULAR FORMULA: C22H17NO
MOLECULAR WEIGHT: 311.37648
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC4=CC=CC=C4C=C3)O
Structure:
CAS RN: 5647-75-6
CAS Name: 7-bromo-4-(1-oxopropyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
OPENEYE Name: 7-bromo-5-phenyl-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
IUPAC Name: 7-bromo-5-phenyl-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-bromanyl-5-phenyl-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C18H17BrN2O2
MOLECULAR WEIGHT: 373.24378
SMILES: CCC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)Br
Structure:
CAS RN: 5645-15-8
CAS Name: 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
OPENEYE Name: 1-(3-chlorophenyl)-6,7-dimethoxy-2-(o-tolylmethyl)-3,4-dihydro-1H-isoquinoline
IUPAC Name: 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SYSTEMATIC NAME: 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
MOLECULAR FORMULA: C25H26ClNO2
MOLECULAR WEIGHT: 407.93244
SMILES: CC1=CC=CC=C1CN2CCC3=CC(=C(C=C3C2C4=CC(=CC=C4)Cl)OC)OC
Structure:
CAS RN: 5641-48-5
CAS Name: 2-[(3-bromo-4-methoxyphenyl)methyl]-1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
OPENEYE Name: 2-[(3-bromo-4-methoxy-phenyl)methyl]-1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methyl]-1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SYSTEMATIC NAME: 2-[(3-bromanyl-4-methoxy-phenyl)methyl]-1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
MOLECULAR FORMULA: C25H25BrClNO3
MOLECULAR WEIGHT: 502.8279
SMILES: COC1=C(C=C(C=C1)CN2CCC3=CC(=C(C=C3C2C4=CC(=CC=C4)Cl)OC)OC)Br
Structure:
CAS RN: 5637-56-9
CAS Name: 2-[(4-fluorophenyl)methyl]-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
OPENEYE Name: 2-[(4-fluorophenyl)methyl]-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC Name: 2-[(4-fluorophenyl)methyl]-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-[(4-fluorophenyl)methyl]-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C27H22FNO2
MOLECULAR WEIGHT: 411.467483
SMILES: C1=CC=C(C=C1)C2C=CC(C3C2C(=O)N(C3=O)CC4=CC=C(C=C4)F)C5=CC=CC=C5
Structure:
CAS RN: 5637-01-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H16O2S2
MOLECULAR WEIGHT: 544.64104
SMILES: C1=CC=C2C(=C1)C3=CC=C4C5=C(C=CC(=C35)C2=O)/C(=C/6\C7=C8C(=CC=C9C8=C(C=C7)C(=O)C1=CC=CC=C19)S6)/S4
Structure:
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