Product OPENEYE NAME: (1E)-4-(1,2-dihydroxy-1-methyl-ethyl)cyclohexene-1-carbaldehyde oxime
CAS Name: (1E)-4-(1,2-dihydroxypropan-2-yl)-1-cyclohexenecarboxaldehyde oxime
IUPAC NAME: 2-[4-[(E)-hydroxyiminomethyl]cyclohex-3-en-1-yl]propane-1,2-diol
SYSTEMATIC NAME: 2-[4-[(E)-hydroxyiminomethyl]cyclohex-3-en-1-yl]propane-1,2-diol
MOLECULAR FORMULA: C10H17NO3
MOLECULAR WEIGHT: 199.24688
SMILES: CC(CO)(C1CCC(=CC1)/C=N/O)O
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Product OPENEYE NAME: (3E)-bicyclo[2.2.2]octa-2,5-diene-3-carbaldehyde oxime
CAS Name: (3E)-3-bicyclo[2.2.2]octa-2,5-dienecarboxaldehyde oxime
IUPAC NAME: (NE)-N-(3-bicyclo[2.2.2]octa-2,5-dienylmethylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(3-bicyclo[2.2.2]octa-2,5-dienylmethylidene)hydroxylamine
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: C1CC2C=CC1C=C2/C=N/O
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Product OPENEYE NAME: 5-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 5-[(4-chlorophenyl)-(4-methyl-1-piperazinyl)methyl]-3-methylisothiazole
IUPAC NAME: 5-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
MOLECULAR FORMULA: C16H20ClN3S
MOLECULAR WEIGHT: 321.8681
SMILES: CC1=NSC(=C1)C(C2=CC=C(C=C2)Cl)N3CCN(CC3)C
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Product OPENEYE NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-(o-tolyl)methyl]isothiazole
CAS Name: 3-methyl-5-[(2-methylphenyl)-(4-methyl-1-piperazinyl)methyl]isothiazole
IUPAC NAME: 3-methyl-5-[(2-methylphenyl)-(4-methylpiperazin-1-yl)methyl]-1,2-thiazole
SYSTEMATIC NAME: 3-methyl-5-[(2-methylphenyl)-(4-methylpiperazin-1-yl)methyl]-1,2-thiazole
MOLECULAR FORMULA: C17H23N3S
MOLECULAR WEIGHT: 301.44962
SMILES: CC1=CC=CC=C1C(C2=CC(=NS2)C)N3CCN(CC3)C
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Product OPENEYE NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-(m-tolyl)methyl]isothiazole
CAS Name: 3-methyl-5-[(3-methylphenyl)-(4-methyl-1-piperazinyl)methyl]isothiazole
IUPAC NAME: 3-methyl-5-[(3-methylphenyl)-(4-methylpiperazin-1-yl)methyl]-1,2-thiazole
SYSTEMATIC NAME: 3-methyl-5-[(3-methylphenyl)-(4-methylpiperazin-1-yl)methyl]-1,2-thiazole
MOLECULAR FORMULA: C17H23N3S
MOLECULAR WEIGHT: 301.44962
SMILES: CC1=CC(=CC=C1)C(C2=CC(=NS2)C)N3CCN(CC3)C
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Product OPENEYE NAME: 5-[(3,5-dimethylpiperazin-1-yl)-(4-isopropylphenyl)methyl]-3-methyl-isothiazole
CAS Name: 5-[(3,5-dimethyl-1-piperazinyl)-(4-propan-2-ylphenyl)methyl]-3-methylisothiazole
IUPAC NAME: 5-[(3,5-dimethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-3-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(3,5-dimethylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-3-methyl-1,2-thiazole
MOLECULAR FORMULA: C20H29N3S
MOLECULAR WEIGHT: 343.52936
SMILES: CC1CN(CC(N1)C)C(C2=CC=C(C=C2)C(C)C)C3=CC(=NS3)C
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Product OPENEYE NAME: N-[(4-isopropylphenyl)-(3-methylisothiazol-5-yl)methyl]pyridin-3-amine
CAS Name: N-[(3-methyl-5-isothiazolyl)-(4-propan-2-ylphenyl)methyl]-3-pyridinamine
IUPAC NAME: N-[(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methyl]pyridin-3-amine
SYSTEMATIC NAME: N-[(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methyl]pyridin-3-amine
MOLECULAR FORMULA: C19H21N3S
MOLECULAR WEIGHT: 323.45514
SMILES: CC1=NSC(=C1)C(C2=CC=C(C=C2)C(C)C)NC3=CN=CC=C3
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Product OPENEYE NAME: (1R,2S)-N-[(1R)-1-formyl-4-guanidino-butyl]-2-[[2-(methylamino)-3-phenyl-propanoyl]amino]cyclohexanecarboxamide
CAS Name: (1R,2S)-N-[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-(methylamino)-1-oxo-3-phenylpropyl]amino]-1-cyclohexanecarboxamide
IUPAC NAME: (1R,2S)-N-[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-(methylamino)-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide
SYSTEMATIC NAME: (1R,2S)-N-[(2R)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[[2-(methylamino)-3-phenyl-propanoyl]amino]cyclohexane-1-carboxamide
MOLECULAR FORMULA: C23H36N6O3
MOLECULAR WEIGHT: 444.57034
SMILES: CNC(CC1=CC=CC=C1)C(=O)N[C@H]2CCCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C=O
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Product OPENEYE NAME: 5-[(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 5-[(4-tert-butylphenyl)-(4-methyl-1-piperazinyl)methyl]-3-methylisothiazole
IUPAC NAME: 5-[(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
SYSTEMATIC NAME: 5-[(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
MOLECULAR FORMULA: C20H29N3S
MOLECULAR WEIGHT: 343.52936
SMILES: CC1=NSC(=C1)C(C2=CC=C(C=C2)C(C)(C)C)N3CCN(CC3)C
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Product OPENEYE NAME: 5-[(4-isopropoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 3-methyl-5-[(4-methyl-1-piperazinyl)-(4-propan-2-yloxyphenyl)methyl]isothiazole
IUPAC NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-(4-propan-2-yloxyphenyl)methyl]-1,2-thiazole
SYSTEMATIC NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-(4-propan-2-yloxyphenyl)methyl]-1,2-thiazole
MOLECULAR FORMULA: C19H27N3OS
MOLECULAR WEIGHT: 345.50218
SMILES: CC1=NSC(=C1)C(C2=CC=C(C=C2)OC(C)C)N3CCN(CC3)C
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Product OPENEYE NAME: 7-(4,4-dimethyl-5H-oxazol-2-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
CAS Name: 7-(4,4-dimethyl-5H-oxazol-2-yl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 7-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C17H17FN2O4
MOLECULAR WEIGHT: 332.326283
SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=NC(CO3)(C)C)F)C(=O)O
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Product OPENEYE NAME: 2-[(4-isopropylphenyl)-(3-methylisothiazol-5-yl)methoxy]-N,N-dimethyl-ethanamine
CAS Name: N,N-dimethyl-2-[(3-methyl-5-isothiazolyl)-(4-propan-2-ylphenyl)methoxy]ethanamine
IUPAC NAME: N,N-dimethyl-2-[(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methoxy]ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methoxy]ethanamine
MOLECULAR FORMULA: C18H26N2OS
MOLECULAR WEIGHT: 318.47684
SMILES: CC1=NSC(=C1)C(C2=CC=C(C=C2)C(C)C)OCCN(C)C
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Product OPENEYE NAME: 1-ethyl-6-fluoro-7-(2-hydroxyethylcarbamoyl)-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-ethyl-6-fluoro-7-[(2-hydroxyethylamino)-oxomethyl]-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-ethyl-6-fluoro-7-(2-hydroxyethylcarbamoyl)-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-ethyl-6-fluoranyl-7-(2-hydroxyethylcarbamoyl)-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C15H15FN2O5
MOLECULAR WEIGHT: 322.288403
SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)C(=O)NCCO)F)C(=O)O
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Product OPENEYE NAME: N-methyl-2-phenyl-N-[(5R,9S)-9-pyrrolidin-1-yl-4-oxaspiro[4.5]decan-8-yl]acetamide
CAS Name: N-methyl-2-phenyl-N-[(5R,9S)-9-(1-pyrrolidinyl)-4-oxaspiro[4.5]decan-8-yl]acetamide
IUPAC NAME: N-methyl-2-phenyl-N-[(5R,9S)-9-pyrrolidin-1-yl-4-oxaspiro[4.5]decan-8-yl]acetamide
SYSTEMATIC NAME: N-methyl-2-phenyl-N-[(5R,9S)-9-pyrrolidin-1-yl-4-oxaspiro[4.5]decan-8-yl]ethanamide
MOLECULAR FORMULA: C22H32N2O2
MOLECULAR WEIGHT: 356.50168
SMILES: CN(C1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC=CC=C4
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Product OPENEYE NAME: ethyl 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CAS Name: 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: ethyl 3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C24H27F2NO3
MOLECULAR WEIGHT: 415.472886
SMILES: CCOC(=O)C1C2CCC(N2C)CC1OC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 5-chloro-3-[(E)-3-phenylprop-2-enoyl]oxazolo[4,5-h]quinolin-2-one
CAS Name: 5-chloro-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2-oxazolo[4,5-h]quinolinone
IUPAC NAME: 5-chloro-3-[(E)-3-phenylprop-2-enoyl]-[1,3]oxazolo[4,5-h]quinolin-2-one
SYSTEMATIC NAME: 5-chloranyl-3-[(E)-3-phenylprop-2-enoyl]-[1,3]oxazolo[4,5-h]quinolin-2-one
MOLECULAR FORMULA: C19H11ClN2O3
MOLECULAR WEIGHT: 350.75524
SMILES: C1=CC=C(C=C1)/C=C/C(=O)N2C3=CC(=C4C=CC=NC4=C3OC2=O)Cl
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Product OPENEYE NAME: 5-chlorooxazolo[4,5-h]quinoline-2-carboxylate; [2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium
CAS Name: 5-chloro-2-oxazolo[4,5-h]quinolinecarboxylate; [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]ammonium
IUPAC NAME: 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate; [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium
SYSTEMATIC NAME: 5-chloranyl-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate; [2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]azanium
MOLECULAR FORMULA: C15H16ClN3O6
MOLECULAR WEIGHT: 369.75704
SMILES: C1=CC2=C(C=C3C(=C2N=C1)OC(=N3)C(=O)[O-])Cl.C(C(CO)(CO)[NH3+])O
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Product OPENEYE NAME: 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CAS Name: 6-chloro-N-[[(2R)-1-ethyl-2-pyrrolidinyl]methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
IUPAC NAME: 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: 6-chloranyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-3-oxidanylidene-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C17H22ClN3O3
MOLECULAR WEIGHT: 351.82788
SMILES: CCN1CCC[C@@H]1CNC(=O)C2=CC(=CC3=C2OCC(=O)N3C)Cl
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Product OPENEYE NAME: N-[[(2S)-1-butylpyrrolidin-2-yl]methyl]-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CAS Name: N-[[(2S)-1-butyl-2-pyrrolidinyl]methyl]-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
IUPAC NAME: N-[[(2S)-1-butylpyrrolidin-2-yl]methyl]-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: N-[[(2S)-1-butylpyrrolidin-2-yl]methyl]-6-chloranyl-4-methyl-3-oxidanylidene-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C19H26ClN3O3
MOLECULAR WEIGHT: 379.88104
SMILES: CCCCN1CCC[C@H]1CNC(=O)C2=CC(=CC3=C2OCC(=O)N3C)Cl
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Product OPENEYE NAME: (4-isopropylphenyl)-(3-methylisothiazol-5-yl)-(1-methyl-4-piperidyl)methanol
CAS Name: (3-methyl-5-isothiazolyl)-(1-methyl-4-piperidinyl)-(4-propan-2-ylphenyl)methanol
IUPAC NAME: (1-methylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methanol
SYSTEMATIC NAME: (1-methylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methanol
MOLECULAR FORMULA: C20H28N2OS
MOLECULAR WEIGHT: 344.51412
SMILES: CC1=NSC(=C1)C(C2CCN(CC2)C)(C3=CC=C(C=C3)C(C)C)O
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