Product OPENEYE NAME: 2,3-dimethoxy-13-(pyrrolidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CAS Name: 2,3-dimethoxy-13-[oxo(1-pyrrolidinyl)methyl]-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
IUPAC NAME: 2,3-dimethoxy-13-(pyrrolidine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
SYSTEMATIC NAME: 2,3-dimethoxy-13-pyrrolidin-1-ylcarbonyl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
MOLECULAR FORMULA: C24H26N2O4
MOLECULAR WEIGHT: 406.47424
SMILES: COC1=C(C=C2C3C(C4=CC=CC=C4C(=O)N3CCC2=C1)C(=O)N5CCCC5)OC
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Product OPENEYE NAME: 6-morpholino-3-(3-pyridylmethyl)-2-thioxo-1H-quinazolin-4-one
CAS Name: 6-(4-morpholinyl)-3-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
IUPAC NAME: 6-morpholin-4-yl-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
SYSTEMATIC NAME: 6-morpholin-4-yl-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
MOLECULAR FORMULA: C18H18N4O2S
MOLECULAR WEIGHT: 354.42612
SMILES: C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CN=CC=C4
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Product OPENEYE NAME: 1-(benzenesulfonyl)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CAS Name: 1-(benzenesulfonyl)-N-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-(3-fluorophenyl)-4-piperidinecarboxamide
IUPAC NAME: 1-(benzenesulfonyl)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SYSTEMATIC NAME: N-[2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]-N-(3-fluorophenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C32H28FN3O5S
MOLECULAR WEIGHT: 585.645223
SMILES: C1CN(CCC1C(=O)N(CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC(=CC=C5)F)S(=O)(=O)C6=CC=CC=C6
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Product OPENEYE NAME: 3-[4-(difluoromethoxy)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CAS Name: 3-[4-(difluoromethoxy)phenyl]-2-[oxo(1-pyrrolidinyl)methyl]-2-propenenitrile
IUPAC NAME: 3-[4-(difluoromethoxy)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-[4-[bis(fluoranyl)methoxy]phenyl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H14F2N2O2
MOLECULAR WEIGHT: 292.280666
SMILES: C1CCN(C1)C(=O)C(=CC2=CC=C(C=C2)OC(F)F)C#N
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Product OPENEYE NAME: [3-[[(2-chlorobenzoyl)-isobutyl-amino]methyl]phenyl] ethanesulfonate
CAS Name: ethanesulfonic acid [3-[[[(2-chlorophenyl)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester
IUPAC NAME: [3-[[(2-chlorobenzoyl)-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate
SYSTEMATIC NAME: [3-[[(2-chlorophenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate
MOLECULAR FORMULA: C20H24ClNO4S
MOLECULAR WEIGHT: 409.92686
SMILES: CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2=CC=CC=C2Cl
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Product OPENEYE NAME: [5-[[furan-2-carbonyl(sec-butyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate
CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [5-[[butan-2-yl-[2-furanyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester
IUPAC NAME: [5-[[butan-2-yl(furan-2-carbonyl)amino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate
SYSTEMATIC NAME: [5-[[butan-2-yl(furan-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] 3-(trifluoromethyl)benzenesulfonate
MOLECULAR FORMULA: C24H24F3NO6S
MOLECULAR WEIGHT: 511.51067
SMILES: CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CO3
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Product OPENEYE NAME: [3-[[(3,4-dichlorophenyl)carbamoyl-sec-butyl-amino]methyl]phenyl] ethanesulfonate
CAS Name: ethanesulfonic acid [3-[[butan-2-yl-[(3,4-dichloroanilino)-oxomethyl]amino]methyl]phenyl] ester
IUPAC NAME: [3-[[butan-2-yl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
SYSTEMATIC NAME: [3-[[butan-2-yl-[(3,4-dichlorophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
MOLECULAR FORMULA: C20H24Cl2N2O4S
MOLECULAR WEIGHT: 459.38656
SMILES: CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)NC2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 3-[furan-3-carbonyl(isopropyl)amino]propanoic acid
CAS Name: 3-[[3-furanyl(oxo)methyl]-propan-2-ylamino]propanoic acid
IUPAC NAME: 3-[furan-3-carbonyl(propan-2-yl)amino]propanoic acid
SYSTEMATIC NAME: 3-[furan-3-ylcarbonyl(propan-2-yl)amino]propanoic acid
MOLECULAR FORMULA: C11H15NO4
MOLECULAR WEIGHT: 225.2411
SMILES: CC(C)N(CCC(=O)O)C(=O)C1=COC=C1
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Product OPENEYE NAME: N-[2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CAS Name: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-[2-(1-pyrrolidinyl)ethyl]benzamide
IUPAC NAME: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
SYSTEMATIC NAME: N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
MOLECULAR FORMULA: C28H32FN3O3S
MOLECULAR WEIGHT: 509.635383
SMILES: COC1=CC=C(C=C1)C(=O)N(CCN2CCCC2)CC(=O)N(CC3=CC=C(C=C3)F)CC4=CC=CS4
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