Product OPENEYE NAME: 6-chloro-4-[[[(1R)-1,2-dimethylpropyl]amino]methyl]-7-methyl-chromen-2-one
CAS Name: 6-chloro-7-methyl-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]-1-benzopyran-2-one
IUPAC NAME: 6-chloro-7-methyl-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
SYSTEMATIC NAME: 6-chloranyl-7-methyl-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
MOLECULAR FORMULA: C16H20ClNO2
MOLECULAR WEIGHT: 293.7885
SMILES: CC1=C(C=C2C(=CC(=O)OC2=C1)CN[C@H](C)C(C)C)Cl
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Product OPENEYE NAME: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C21H19NO6
MOLECULAR WEIGHT: 381.37866
SMILES: C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: [(1S)-1,2-dimethylpropyl]-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]ammonium
CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-3-methylbutan-2-yl]ammonium
IUPAC NAME: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(2S)-3-methylbutan-2-yl]azanium
SYSTEMATIC NAME: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-3-methylbutan-2-yl]azanium
MOLECULAR FORMULA: C17H24NO3+
MOLECULAR WEIGHT: 290.37736
SMILES: CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+][C@@H](C)C(C)C)O
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Product OPENEYE NAME: 4-[[[(1S)-1,2-dimethylpropyl]amino]methyl]-6-ethyl-7-hydroxy-chromen-2-one
CAS Name: 6-ethyl-7-hydroxy-4-[[[(2S)-3-methylbutan-2-yl]amino]methyl]-1-benzopyran-2-one
IUPAC NAME: 6-ethyl-7-hydroxy-4-[[[(2S)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
SYSTEMATIC NAME: 6-ethyl-4-[[[(2S)-3-methylbutan-2-yl]amino]methyl]-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C17H23NO3
MOLECULAR WEIGHT: 289.36942
SMILES: CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN[C@@H](C)C(C)C)O
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Product OPENEYE NAME: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetate
CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
SYSTEMATIC NAME: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate
MOLECULAR FORMULA: C23H27NO6
MOLECULAR WEIGHT: 413.46358
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)OC(=O)COC2=CC=CC3=C2OC(C3)(C)C
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Product OPENEYE NAME: (2S)-N-(4-fluorophenyl)-1-(p-tolylsulfonyl)piperidine-2-carboxamide
CAS Name: (2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxamide
IUPAC NAME: (2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide
MOLECULAR FORMULA: C19H21FN2O3S
MOLECULAR WEIGHT: 376.445043
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-(2-furylmethyl)thiourea
CAS Name: 1-(2-furanylmethyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]thiourea
IUPAC NAME: 1-(furan-2-ylmethyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]thiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]thiourea
MOLECULAR FORMULA: C19H19N3O3S2
MOLECULAR WEIGHT: 401.50246
SMILES: CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=S)NCC3=CC=CO3
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Product OPENEYE NAME: 2-[4-[(4-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[(4-bromophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[(4-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(4-bromophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H28BrN3O+2
MOLECULAR WEIGHT: 418.37052
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)Br
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Product OPENEYE NAME: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[(4-bromophenyl)methyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H26BrN3O
MOLECULAR WEIGHT: 416.35464
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)Br
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Product OPENEYE NAME: [(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H21NO4
MOLECULAR WEIGHT: 363.40644
SMILES: C[C@@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: [(1R)-1,2-dimethylpropyl]-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]ammonium
CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-3-methylbutan-2-yl]ammonium
IUPAC NAME: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(2R)-3-methylbutan-2-yl]azanium
SYSTEMATIC NAME: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-3-methylbutan-2-yl]azanium
MOLECULAR FORMULA: C17H24NO3+
MOLECULAR WEIGHT: 290.37736
SMILES: CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+][C@H](C)C(C)C)O
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Product OPENEYE NAME: 4-[[[(1R)-1,2-dimethylpropyl]amino]methyl]-6-ethyl-7-hydroxy-chromen-2-one
CAS Name: 6-ethyl-7-hydroxy-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]-1-benzopyran-2-one
IUPAC NAME: 6-ethyl-7-hydroxy-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]chromen-2-one
SYSTEMATIC NAME: 6-ethyl-4-[[[(2R)-3-methylbutan-2-yl]amino]methyl]-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C17H23NO3
MOLECULAR WEIGHT: 289.36942
SMILES: CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN[C@H](C)C(C)C)O
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Product OPENEYE NAME: methyl 4-[[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]methyl]benzoate
CAS Name: 4-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]methyl]benzoate
MOLECULAR FORMULA: C23H31N3O3+2
MOLECULAR WEIGHT: 397.51054
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC
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Product OPENEYE NAME: methyl 4-[[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-1-yl]methyl]benzoate
CAS Name: 4-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]benzoate
MOLECULAR FORMULA: C23H29N3O3
MOLECULAR WEIGHT: 395.49466
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC
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Product OPENEYE NAME: 1-[2-[(5Z)-2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-propyl-thiourea
CAS Name: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-3-propylthiourea
IUPAC NAME: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-propylthiourea
SYSTEMATIC NAME: 1-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-3-propyl-thiourea
MOLECULAR FORMULA: C17H21N3O2S2
MOLECULAR WEIGHT: 363.49754
SMILES: CCCNC(=S)NCCN1C(=O)/C(=C/C2=CC=C(C=C2)C)/SC1=O
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(4-tert-butylphenoxy)propanoate
CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-tert-butylphenoxy)propanoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-tert-butylphenoxy)propanoate
MOLECULAR FORMULA: C22H31N3O4
MOLECULAR WEIGHT: 401.49924
SMILES: CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)CCOC2=CC=C(C=C2)C(C)(C)C
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Product OPENEYE NAME: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H21NO4
MOLECULAR WEIGHT: 363.40644
SMILES: C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC4=CC=CC=C4OC3
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Product OPENEYE NAME: (2R)-N-(4-fluorophenyl)-1-(p-tolylsulfonyl)piperidine-2-carboxamide
CAS Name: (2R)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxamide
IUPAC NAME: (2R)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
SYSTEMATIC NAME: (2R)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide
MOLECULAR FORMULA: C19H21FN2O3S
MOLECULAR WEIGHT: 376.445043
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
MOLECULAR FORMULA: C21H29N2O4S+
MOLECULAR WEIGHT: 405.53096
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
IUPAC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
SYSTEMATIC NAME: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazine
MOLECULAR FORMULA: C21H28N2O4S
MOLECULAR WEIGHT: 404.52302
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)OC
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Product OPENEYE NAME: (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
CAS Name: (E)-3-(2-chloro-3-imidazo[1,2-a]pyridinyl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-propenamide
IUPAC NAME: (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(2-chloranylimidazo[1,2-a]pyridin-3-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]prop-2-enamide
MOLECULAR FORMULA: C19H17ClFN3OS
MOLECULAR WEIGHT: 389.874183
SMILES: C1=CC=C(C(=C1)CSCCNC(=O)/C=C/C2=C(N=C3N2C=CC=C3)Cl)F
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Product OPENEYE NAME: 2-[4-[(2,4-dichlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-[4-[(2,4-dichlorophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-[4-[(2,4-dichlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[4-[(2,4-dichlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H27Cl2N3O+2
MOLECULAR WEIGHT: 408.36458
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=C(C=C3)Cl)Cl
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