Product OPENEYE NAME: ethyl 5-[2-hydroxy-3-[1-(hydroxymethyl)propylamino]propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate
CAS Name: 5-[2-hydroxy-3-(1-hydroxybutan-2-ylamino)propoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[2-hydroxy-3-(1-hydroxybutan-2-ylamino)propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-1-(4-methylphenyl)-5-[2-oxidanyl-3-(1-oxidanylbutan-2-ylamino)propoxy]indole-3-carboxylate
MOLECULAR FORMULA: C26H34N2O5
MOLECULAR WEIGHT: 454.55856
SMILES: CCC(CO)NCC(COC1=CC2=C(C=C1)N(C(=C2C(=O)OCC)C)C3=CC=C(C=C3)C)O
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-morpholino-thiourea
CAS Name: 1-(4-chlorophenyl)-3-(4-morpholinyl)thiourea
IUPAC NAME: 1-(4-chlorophenyl)-3-morpholin-4-ylthiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-morpholin-4-yl-thiourea
MOLECULAR FORMULA: C11H14ClN3OS
MOLECULAR WEIGHT: 271.76636
SMILES: C1COCCN1NC(=S)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 2-[3-[[1-(4-chlorophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]indol-1-yl]acetic acid
CAS Name: 2-[3-[[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-1-indolyl]acetic acid
IUPAC NAME: 2-[3-[[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid
SYSTEMATIC NAME: 2-[3-[[1-(4-chlorophenyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]indol-1-yl]ethanoic acid
MOLECULAR FORMULA: C21H14ClN3O5
MOLECULAR WEIGHT: 423.80596
SMILES: C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 6-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CAS Name: 6-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-N-(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
IUPAC NAME: 6-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
SYSTEMATIC NAME: 6-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(4-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
MOLECULAR FORMULA: C27H32N4O3S
MOLECULAR WEIGHT: 492.63298
SMILES: CC1=C(C(N2CCCSC2=N1)C3=CC=C(C=C3)NC(=O)C(C)(C)C)C(=O)NC4=CC=C(C=C4)OC
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Product OPENEYE NAME: 3-triphenylsilyloctadecan-3-ol
CAS Name: 3-triphenylsilyl-3-octadecanol
IUPAC NAME: 3-triphenylsilyloctadecan-3-ol
SYSTEMATIC NAME: 3-triphenylsilyloctadecan-3-ol
MOLECULAR FORMULA: C36H52OSi
MOLECULAR WEIGHT: 528.88298
SMILES: CCCCCCCCCCCCCCCC(CC)(O)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(1,1,2,3,3,6-hexamethylindan-5-yl)-2,5,5-trimethyl-1,3-dioxane
CAS Name: 2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)-2,5,5-trimethyl-1,3-dioxane
IUPAC NAME: 2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)-2,5,5-trimethyl-1,3-dioxane
SYSTEMATIC NAME: 2-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)-2,5,5-trimethyl-1,3-dioxane
MOLECULAR FORMULA: C22H34O2
MOLECULAR WEIGHT: 330.50416
SMILES: CC1C(C2=CC(=C(C=C2C1(C)C)C3(OCC(CO3)(C)C)C)C)(C)C
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Product OPENEYE NAME: 2-tert-butylimino-N-hydroxy-cyclohexanimine oxide
CAS Name: 2-tert-butylimino-N-hydroxy-1-cyclohexanimine oxide
IUPAC NAME: 2-tert-butylimino-N-hydroxycyclohexan-1-imine oxide
SYSTEMATIC NAME: 2-tert-butylimino-N-oxidanyl-cyclohexan-1-imine oxide
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: CC(C)(C)N=C1CCCCC1=[N+](O)[O-]
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Product OPENEYE NAME: 1-(4-methoxyphenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone
CAS Name: 1-(4-methoxyphenyl)-2-(4-phenyl-1-pyrimidin-1-iumyl)ethanone
IUPAC NAME: 1-(4-methoxyphenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2-(4-phenylpyrimidin-1-ium-1-yl)ethanone
MOLECULAR FORMULA: C19H17N2O2+
MOLECULAR WEIGHT: 305.35048
SMILES: COC1=CC=C(C=C1)C(=O)C[N+]2=CN=C(C=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate
CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-oxo-2-[3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] ester
IUPAC NAME: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 5-methylpyrazine-2-carboxylate
MOLECULAR FORMULA: C28H26N4O3
MOLECULAR WEIGHT: 466.53104
SMILES: CC1=NC=C(N=C1)C(=O)OCC(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5
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Product OPENEYE NAME: N-benzyl-2-[(4-bromophenyl)sulfonyl-sec-butyl-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide
CAS Name: 2-[(4-bromophenyl)sulfonyl-butan-2-ylamino]-N-[(3-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide
IUPAC NAME: N-benzyl-2-[(4-bromophenyl)sulfonyl-butan-2-ylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SYSTEMATIC NAME: 2-[(4-bromophenyl)sulfonyl-butan-2-yl-amino]-N-[(3-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C25H29BrN2O3S2
MOLECULAR WEIGHT: 549.54336
SMILES: CCC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)S(=O)(=O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: (4-chloro-3-nitro-phenyl)-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]methanone
CAS Name: (4-chloro-3-nitrophenyl)-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]methanone
IUPAC NAME: (4-chloro-3-nitrophenyl)-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]methanone
SYSTEMATIC NAME: (4-chloranyl-3-nitro-phenyl)-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]methanone
MOLECULAR FORMULA: C25H26ClN5O4
MOLECULAR WEIGHT: 495.95804
SMILES: CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC=C(C=C4)OC
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Product OPENEYE NAME: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane
CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1,4-diazepane
IUPAC NAME: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepane
SYSTEMATIC NAME: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-1,4-diazepane
MOLECULAR FORMULA: C24H25Cl2N5O4S
MOLECULAR WEIGHT: 550.4574
SMILES: CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: N-(2,4-dimethylphenyl)-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazine-1-carboxamide
CAS Name: N-(2,4-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1-piperazinecarboxamide
IUPAC NAME: N-(2,4-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
SYSTEMATIC NAME: N-(2,4-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxamide
MOLECULAR FORMULA: C27H33N5O
MOLECULAR WEIGHT: 443.58382
SMILES: CC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4)C
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Product OPENEYE NAME: ethyl 4-[2-[2-[[2-[isopropyl-(4-methylbenzoyl)amino]acetyl]amino]thiazol-4-yl]acetyl]piperazine-1-carboxylate
CAS Name: 4-[2-[2-[[2-[[(4-methylphenyl)-oxomethyl]-propan-2-ylamino]-1-oxoethyl]amino]-4-thiazolyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[2-[2-[[2-[(4-methylbenzoyl)-propan-2-ylamino]acetyl]amino]-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[2-[2-[2-[(4-methylphenyl)carbonyl-propan-2-yl-amino]ethanoylamino]-1,3-thiazol-4-yl]ethanoyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C25H33N5O5S
MOLECULAR WEIGHT: 515.62502
SMILES: CCOC(=O)N1CCN(CC1)C(=O)CC2=CSC(=N2)NC(=O)CN(C(C)C)C(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: 2-[[2-(3,4-dimethoxyphenyl)ethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-N-sec-butyl-thiazole-4-carboxamide
CAS Name: N-butan-2-yl-2-[[2-(3,4-dimethoxyphenyl)ethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-4-thiazolecarboxamide
IUPAC NAME: N-butan-2-yl-2-[[2-(3,4-dimethoxyphenyl)ethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-butan-2-yl-2-[[2-(3,4-dimethoxyphenyl)ethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C28H37N3O5S
MOLECULAR WEIGHT: 527.67548
SMILES: CCC(C)NC(=O)C1=CSC(=N1)CN(CCC2=CC(=C(C=C2)OC)OC)CC3=C(C=C(C=C3)OC)OC
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Product OPENEYE NAME: N-cyclopropyl-N-[3-(isopentylamino)-3-oxo-propyl]-2,5-dimethyl-furan-3-carboxamide
CAS Name: N-cyclopropyl-2,5-dimethyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-3-furancarboxamide
IUPAC NAME: N-cyclopropyl-2,5-dimethyl-N-[3-(3-methylbutylamino)-3-oxopropyl]furan-3-carboxamide
SYSTEMATIC NAME: N-cyclopropyl-2,5-dimethyl-N-[3-(3-methylbutylamino)-3-oxidanylidene-propyl]furan-3-carboxamide
MOLECULAR FORMULA: C18H28N2O3
MOLECULAR WEIGHT: 320.42652
SMILES: CC1=CC(=C(O1)C)C(=O)N(CCC(=O)NCCC(C)C)C2CC2
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Product OPENEYE NAME: N-[2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]thiazol-2-yl]amino]-2-oxo-ethyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CAS Name: N-[2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-thiazolyl]amino]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide
IUPAC NAME: N-[2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide
SYSTEMATIC NAME: N-[2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]-4-methoxy-N-(2-methoxyethyl)benzamide
MOLECULAR FORMULA: C27H30N4O5S
MOLECULAR WEIGHT: 522.6159
SMILES: COCCN(CC(=O)NC1=NC(=CS1)CC(=O)N2CCC3=CC=CC=C3C2)C(=O)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: 6-methyl-4-[[4-(morpholine-4-carbonyl)thiazol-2-yl]methyl]-1,4-benzoxazin-3-one
CAS Name: 6-methyl-4-[[4-[4-morpholinyl(oxo)methyl]-2-thiazolyl]methyl]-1,4-benzoxazin-3-one
IUPAC NAME: 6-methyl-4-[[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]methyl]-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-methyl-4-[(4-morpholin-4-ylcarbonyl-1,3-thiazol-2-yl)methyl]-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C18H19N3O4S
MOLECULAR WEIGHT: 373.42616
SMILES: CC1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)N4CCOCC4
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Product OPENEYE NAME: 2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-pyridylmethyl)oxazole-4-carboxamide
CAS Name: 2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(2-pyridinylmethyl)-4-oxazolecarboxamide
IUPAC NAME: 2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
SYSTEMATIC NAME: 2-[(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
MOLECULAR FORMULA: C20H18N4O4
MOLECULAR WEIGHT: 378.38132
SMILES: CC1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CO3)C(=O)NCC4=CC=CC=N4
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Product OPENEYE NAME: 7-[(4-ethylpiperazin-1-yl)-(2-pyridyl)methyl]quinolin-8-ol
CAS Name: 7-[(4-ethyl-1-piperazinyl)-(2-pyridinyl)methyl]-8-quinolinol
IUPAC NAME: 7-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]quinolin-8-ol
SYSTEMATIC NAME: 7-[(4-ethylpiperazin-1-yl)-pyridin-2-yl-methyl]quinolin-8-ol
MOLECULAR FORMULA: C21H24N4O
MOLECULAR WEIGHT: 348.44146
SMILES: CCN1CCN(CC1)C(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4
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