CAS RN: 57435-79-7
CAS Name: 4,5-dimethyl-2-oxo-7-phenyl-1,6-dihydropyrrolo[3,4-b]pyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4,5-dimethyl-2-oxo-7-phenyl-1,6-dihydropyrrolo[3,4-b]pyridine-3-carboxylate
IUPAC Name: ethyl 4,5-dimethyl-2-oxo-7-phenyl-1,6-dihydropyrrolo[3,4-b]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 4,5-dimethyl-2-oxidanylidene-7-phenyl-1,6-dihydropyrrolo[3,4-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C18H18N2O3
MOLECULAR WEIGHT: 310.34712
SMILES: CCOC(=O)C1=C(C2=C(NC(=C2NC1=O)C3=CC=CC=C3)C)C
Structure:
CAS RN: 57435-74-2
CAS Name: 3-acetyl-4,5-dimethyl-7-phenyl-1,6-dihydropyrrolo[3,4-b]pyridin-2-one
OPENEYE Name: 3-acetyl-4,5-dimethyl-7-phenyl-1,6-dihydropyrrolo[3,4-b]pyridin-2-one
IUPAC Name: 3-acetyl-4,5-dimethyl-7-phenyl-1,6-dihydropyrrolo[3,4-b]pyridin-2-one
SYSTEMATIC NAME: 3-ethanoyl-4,5-dimethyl-7-phenyl-1,6-dihydropyrrolo[3,4-b]pyridin-2-one
MOLECULAR FORMULA: C17H16N2O2
MOLECULAR WEIGHT: 280.32114
SMILES: CC1=C(C(=O)NC2=C(NC(=C12)C)C3=CC=CC=C3)C(=O)C
Structure:
CAS RN: 57426-38-7
CAS Name: 1-cyclohexyl-4-[(1R)-1,2-diphenylethyl]piperazine dihydrochloride
OPENEYE Name: 1-cyclohexyl-4-[(1R)-1,2-diphenylethyl]piperazine dihydrochloride
IUPAC Name: 1-cyclohexyl-4-[(1R)-1,2-diphenylethyl]piperazine dihydrochloride
SYSTEMATIC NAME: 1-cyclohexyl-4-[(1R)-1,2-diphenylethyl]piperazine dihydrochloride
MOLECULAR FORMULA: C24H34Cl2N2
MOLECULAR WEIGHT: 421.44616
SMILES: C1CCC(CC1)N2CCN(CC2)[C@H](CC3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 57421-31-5
CAS Name: 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanoic acid
OPENEYE Name: 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanoic acid
IUPAC Name: 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanoic acid
SYSTEMATIC NAME: 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanoic acid
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CC(C1CCCCC2=CC=CC=C12)C(=O)O
Structure:
CAS RN: 57420-66-3
CAS Name: 1-ethyl-1-undecylpiperidin-1-ium bromide
OPENEYE Name: 1-ethyl-1-undecyl-piperidin-1-ium bromide
IUPAC Name: 1-ethyl-1-undecylpiperidin-1-ium bromide
SYSTEMATIC NAME: 1-ethyl-1-undecyl-piperidin-1-ium bromide
MOLECULAR FORMULA: C18H38BrN
MOLECULAR WEIGHT: 348.40502
SMILES: CCCCCCCCCCC[N+]1(CCCCC1)CC.[Br-]
Structure:
CAS RN: 57420-47-0
CAS Name: (2R)-2-amino-N-[(2S,3R,4R)-4-amino-1,3-dihydroxy-5-oxopentan-2-yl]propanamide dihydrochloride
OPENEYE Name: (2R)-2-amino-N-[(1S,2R,3R)-3-amino-2-hydroxy-1-(hydroxymethyl)-4-oxo-butyl]propanamide dihydrochloride
IUPAC Name: (2R)-2-amino-N-[(2S,3R,4R)-4-amino-1,3-dihydroxy-5-oxopentan-2-yl]propanamide dihydrochloride
SYSTEMATIC NAME: (2R)-2-azanyl-N-[(2S,3R,4R)-4-azanyl-1,3-bis(oxidanyl)-5-oxidanylidene-pentan-2-yl]propanamide dihydrochloride
MOLECULAR FORMULA: C8H19Cl2N3O4
MOLECULAR WEIGHT: 292.16016
SMILES: C[C@H](C(=O)N[C@@H](CO)[C@@H]([C@H](C=O)N)O)N.Cl.Cl
Structure:
CAS RN: 57403-12-0
CAS Name: 3-ethyl-1-[[4-[(3-ethyl-2,6-dioxo-3-phenyl-1-piperidinyl)methyl]-1-piperazinyl]methyl]-3-phenylpiperidine-2,6-dione
OPENEYE Name: 3-ethyl-1-[[4-[(3-ethyl-2,6-dioxo-3-phenyl-1-piperidyl)methyl]piperazin-1-yl]methyl]-3-phenyl-piperidine-2,6-dione
IUPAC Name: 3-ethyl-1-[[4-[(3-ethyl-2,6-dioxo-3-phenylpiperidin-1-yl)methyl]piperazin-1-yl]methyl]-3-phenylpiperidine-2,6-dione
SYSTEMATIC NAME: 3-ethyl-1-[[4-[[3-ethyl-2,6-bis(oxidanylidene)-3-phenyl-piperidin-1-yl]methyl]piperazin-1-yl]methyl]-3-phenyl-piperidine-2,6-dione
MOLECULAR FORMULA: C32H40N4O4
MOLECULAR WEIGHT: 544.6844
SMILES: CCC1(CCC(=O)N(C1=O)CN2CCN(CC2)CN3C(=O)CCC(C3=O)(CC)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 57390-30-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H11N3
MOLECULAR WEIGHT: 233.26794
SMILES: C1=CC=C2C(=C1)C3=NC=CN3C4=CC=CC=C4N2
Structure:
CAS RN: 57361-62-3
CAS Name: acetic acid [3-acetyloxy-2-[(1R,6R)-3-methyl-6-(3-oxoprop-1-en-2-yl)-1-cyclohex-2-enyl]-5-pentylphenyl] ester
OPENEYE Name: [3-acetoxy-2-[(1R,6R)-6-(1-formylvinyl)-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-phenyl] acetate
IUPAC Name: [3-acetyloxy-2-[(1R,6R)-3-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-2-en-1-yl]-5-pentylphenyl] acetate
SYSTEMATIC NAME: [3-acetyloxy-2-[(1R,6R)-3-methyl-6-(3-oxidanylideneprop-1-en-2-yl)cyclohex-2-en-1-yl]-5-pentyl-phenyl] ethanoate
MOLECULAR FORMULA: C25H32O5
MOLECULAR WEIGHT: 412.51858
SMILES: CCCCCC1=CC(=C(C(=C1)OC(=O)C)[C@@H]2C=C(CC[C@H]2C(=C)C=O)C)OC(=O)C
Structure:
CAS RN: 57350-52-4
CAS Name: 6-methoxy-1-pyridin-4-yl-9H-pyrido[3,4-b]indole
OPENEYE Name: 6-methoxy-1-(4-pyridyl)-9H-pyrido[3,4-b]indole
IUPAC Name: 6-methoxy-1-pyridin-4-yl-9H-pyrido[3,4-b]indole
SYSTEMATIC NAME: 6-methoxy-1-pyridin-4-yl-9H-pyrido[3,4-b]indole
MOLECULAR FORMULA: C17H13N3O
MOLECULAR WEIGHT: 275.30462
SMILES: COC1=CC2=C(C=C1)NC3=C2C=CN=C3C4=CC=NC=C4
Structure:
CAS RN: 57350-49-9
CAS Name: 2-(4-methyl-1-piperazinyl)-5-phenyl-1H-pyrimidine-4,6-dione
OPENEYE Name: 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione
IUPAC Name: 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione
SYSTEMATIC NAME: 2-(4-methylpiperazin-1-yl)-5-phenyl-1H-pyrimidine-4,6-dione
MOLECULAR FORMULA: C15H18N4O2
MOLECULAR WEIGHT: 286.32902
SMILES: CN1CCN(CC1)C2=NC(=O)C(C(=O)N2)C3=CC=CC=C3
Structure:
CAS RN: 57350-48-8
CAS Name: 2-[(phenylmethyl)amino]-1H-pyrimidine-4,6-dione
OPENEYE Name: 2-(benzylamino)-1H-pyrimidine-4,6-dione
IUPAC Name: 2-(benzylamino)-1H-pyrimidine-4,6-dione
SYSTEMATIC NAME: 2-[(phenylmethyl)amino]-1H-pyrimidine-4,6-dione
MOLECULAR FORMULA: C11H11N3O2
MOLECULAR WEIGHT: 217.22394
SMILES: C1C(=O)NC(=NC1=O)NCC2=CC=CC=C2
Structure:
CAS RN: 57330-96-8
CAS Name: 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine
OPENEYE Name: 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine
IUPAC Name: 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine
SYSTEMATIC NAME: 3,4-dimethyl-2-[(3,4,5-trimethoxyphenyl)methyl]pyridine
MOLECULAR FORMULA: C17H21NO3
MOLECULAR WEIGHT: 287.35354
SMILES: CC1=C(C(=NC=C1)CC2=CC(=C(C(=C2)OC)OC)OC)C
Structure:
CAS RN: 57330-95-7
CAS Name: (3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol
OPENEYE Name: (3,4-dimethyl-2-pyridyl)-(3,4,5-trimethoxyphenyl)methanol
IUPAC Name: (3,4-dimethylpyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanol
SYSTEMATIC NAME: (3,4-dimethylpyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanol
MOLECULAR FORMULA: C17H21NO4
MOLECULAR WEIGHT: 303.35294
SMILES: CC1=C(C(=NC=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)O)C
Structure:
CAS RN: 57330-92-4
CAS Name: 1,4,5-trimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium chloride
OPENEYE Name: 1,4,5-trimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium chloride
IUPAC Name: 1,4,5-trimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium chloride
SYSTEMATIC NAME: 1,4,5-trimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-1-ium chloride
MOLECULAR FORMULA: C18H28ClNO3
MOLECULAR WEIGHT: 341.87282
SMILES: CC1=C(C[N+](CC1)(C)CC2=CC(=C(C(=C2)OC)OC)OC)C.[Cl-]
Structure:
CAS RN: 57330-91-3
CAS Name: 1,4,5-trimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine hydrochloride
OPENEYE Name: 1,4,5-trimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine hydrochloride
IUPAC Name: 1,4,5-trimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine hydrochloride
SYSTEMATIC NAME: 1,4,5-trimethyl-6-[(3,4,5-trimethoxyphenyl)methyl]-3,6-dihydro-2H-pyridine hydrochloride
MOLECULAR FORMULA: C18H28ClNO3
MOLECULAR WEIGHT: 341.87282
SMILES: CC1=C(C(N(CC1)C)CC2=CC(=C(C(=C2)OC)OC)OC)C.Cl
Structure:
CAS RN: 57330-62-8
CAS Name: 7-methoxy-3'-phenyl-4-spiro[3,4-dihydro-2H-1-benzopyran-3,2'-oxirane]one
OPENEYE Name: 7-methoxy-3'-phenyl-spiro[chromane-3,2'-oxirane]-4-one
IUPAC Name: 7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
SYSTEMATIC NAME: 7-methoxy-3'-phenyl-spiro[2H-chromene-3,2'-oxirane]-4-one
MOLECULAR FORMULA: C17H14O4
MOLECULAR WEIGHT: 282.29066
SMILES: COC1=CC2=C(C=C1)C(=O)C3(CO2)C(O3)C4=CC=CC=C4
Structure:
CAS RN: 57314-55-3
CAS Name: 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine dihydrochloride
OPENEYE Name: 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine dihydrochloride
IUPAC Name: 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine dihydrochloride
SYSTEMATIC NAME: 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine dihydrochloride
MOLECULAR FORMULA: C24H34Cl2N2
MOLECULAR WEIGHT: 421.44616
SMILES: C1CCC(CC1)N2CCN(CC2)C(CC3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 68770-55-8
CAS Name: 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine dihydrochloride
OPENEYE Name: 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine dihydrochloride
IUPAC Name: 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine dihydrochloride
SYSTEMATIC NAME: 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine dihydrochloride
MOLECULAR FORMULA: C24H34Cl2N2
MOLECULAR WEIGHT: 421.44616
SMILES: C1CCC(CC1)N2CCN(CC2)C(CC3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 57312-50-2
CAS Name: 8-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
OPENEYE Name: 8-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
IUPAC Name: 8-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
SYSTEMATIC NAME: 8-methoxy-2-(3-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
MOLECULAR FORMULA: C17H15N3O2
MOLECULAR WEIGHT: 293.3199
SMILES: COC1=CC2=C(CN3C2=NC(=N3)C4=CC(=CC=C4)OC)C=C1
Structure:
CAS RN: 57304-25-3
CAS Name: N-(3,4-dimethoxyphenyl)-N-methyl-4,6-bis[(1-methyl-4-piperidinyl)oxy]-5-(methylthio)-2-pyrimidinamine
OPENEYE Name: N-(3,4-dimethoxyphenyl)-N-methyl-4,6-bis[(1-methyl-4-piperidyl)oxy]-5-methylsulfanyl-pyrimidin-2-amine
IUPAC Name: N-(3,4-dimethoxyphenyl)-N-methyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanylpyrimidin-2-amine
SYSTEMATIC NAME: N-(3,4-dimethoxyphenyl)-N-methyl-4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanyl-pyrimidin-2-amine
MOLECULAR FORMULA: C26H39N5O4S
MOLECULAR WEIGHT: 517.68396
SMILES: CN1CCC(CC1)OC2=C(C(=NC(=N2)N(C)C3=CC(=C(C=C3)OC)OC)OC4CCN(CC4)C)SC
Structure:
CAS RN: 57304-24-2
CAS Name: 4-[4,6-bis[(1-methyl-4-piperidinyl)oxy]-5-(methylthio)-2-pyrimidinyl]morpholine
OPENEYE Name: 4-[4,6-bis[(1-methyl-4-piperidyl)oxy]-5-methylsulfanyl-pyrimidin-2-yl]morpholine
IUPAC Name: 4-[4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanylpyrimidin-2-yl]morpholine
SYSTEMATIC NAME: 4-[4,6-bis[(1-methylpiperidin-4-yl)oxy]-5-methylsulfanyl-pyrimidin-2-yl]morpholine
MOLECULAR FORMULA: C21H35N5O3S
MOLECULAR WEIGHT: 437.5993
SMILES: CN1CCC(CC1)OC2=C(C(=NC(=N2)N3CCOCC3)OC4CCN(CC4)C)SC
Structure:
CAS RN: 57295-58-6
CAS Name: 3-(4-chlorophenyl)-4-methyl-5-(methylthio)-1,2,4-triazole
OPENEYE Name: 3-(4-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
IUPAC Name: 3-(4-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
SYSTEMATIC NAME: 3-(4-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
MOLECULAR FORMULA: C10H10ClN3S
MOLECULAR WEIGHT: 239.7245
SMILES: CN1C(=NN=C1SC)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 57295-56-4
CAS Name: 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-1,2,4-triazole
OPENEYE Name: 3-(4-chlorophenyl)-1-methyl-5-methylsulfanyl-1,2,4-triazole
IUPAC Name: 3-(4-chlorophenyl)-1-methyl-5-methylsulfanyl-1,2,4-triazole
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1-methyl-5-methylsulfanyl-1,2,4-triazole
MOLECULAR FORMULA: C10H10ClN3S
MOLECULAR WEIGHT: 239.7245
SMILES: CN1C(=NC(=N1)C2=CC=C(C=C2)Cl)SC
Structure:
CAS RN: 57287-02-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28ClNO2
MOLECULAR WEIGHT: 337.88412
SMILES: CC1[C@@H]2CC3=C([C@]1(CCN2C[C@H]4CCCO4)C)C=C(C=C3)O.Cl
Structure:
CAS RN: 57286-99-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28ClNO2
MOLECULAR WEIGHT: 337.88412
SMILES: CC1[C@@H]2CC3=C([C@]1(CCN2C[C@@H]4CCCO4)C)C=C(C=C3)O.Cl
Structure:
CAS RN: 57287-04-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28ClNO2
MOLECULAR WEIGHT: 337.88412
SMILES: CC1[C@@H]2CC3=C([C@]1(CCN2C[C@@H]4CCCO4)C)C=C(C=C3)O.Cl
Structure:
CAS RN: 57286-96-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28ClNO2
MOLECULAR WEIGHT: 337.88412
SMILES: CC1[C@H]2CC3=C([C@@]1(CCN2C[C@@H]4CCCO4)C)C=C(C=C3)O.Cl
Structure:
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