CAS RN: 5196-14-5
CAS Name: 1-[6-[oxo(3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-[2-phenyl-6-(pyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
IUPAC Name: ethyl 1-[2-phenyl-6-(pyridine-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(2-phenyl-6-pyridin-3-ylcarbonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
MOLECULAR FORMULA: C27H29N5O3
MOLECULAR WEIGHT: 471.55086
SMILES: CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2CN(CC3)C(=O)C4=CN=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 5985-43-3
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxyphenyl)-2-methyl-3-pyrazolecarboxamide
OPENEYE Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxyphenyl)-2-methyl-pyrazole-3-carboxamide
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxyphenyl)-2-methyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C20H19N3O4
MOLECULAR WEIGHT: 365.38256
SMILES: CN1C(=CC(=N1)C2=CC(=CC=C2)OC)C(=O)NCC3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 6673-49-0
CAS Name: oxalic acid O2-(2-oxolanylmethyl) ester O1-propyl ester
OPENEYE Name: O1-propyl O2-(tetrahydrofuran-2-ylmethyl) oxalate
IUPAC Name: 2-O-(oxolan-2-ylmethyl) 1-O-propyl oxalate
SYSTEMATIC NAME: O2-(oxolan-2-ylmethyl) O1-propyl ethanedioate
MOLECULAR FORMULA: C10H16O5
MOLECULAR WEIGHT: 216.23104
SMILES: CCCOC(=O)C(=O)OCC1CCCO1
Structure:
CAS RN: 5721-18-6
CAS Name: N-butyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide
OPENEYE Name: N-butyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
IUPAC Name: N-butyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-butyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C16H22N4OS
MOLECULAR WEIGHT: 318.43708
SMILES: CCCCNC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)CC
Structure:
CAS RN: 5093-62-9
CAS Name: N-methoxy-1-(4-methoxyphenyl)-2-propanamine
OPENEYE Name: N-methoxy-1-(4-methoxyphenyl)propan-2-amine
IUPAC Name: N-methoxy-1-(4-methoxyphenyl)propan-2-amine
SYSTEMATIC NAME: N-methoxy-1-(4-methoxyphenyl)propan-2-amine
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: CC(CC1=CC=C(C=C1)OC)NOC
Structure:
CAS RN: 6711-40-6
CAS Name: N'-[1-(2-hydroxyphenyl)ethenyl]-2-phenyl-1-cyclopropanecarbohydrazide
OPENEYE Name: N'-[1-(2-hydroxyphenyl)vinyl]-2-phenyl-cyclopropanecarbohydrazide
IUPAC Name: N'-[1-(2-hydroxyphenyl)ethenyl]-2-phenylcyclopropane-1-carbohydrazide
SYSTEMATIC NAME: N'-[1-(2-hydroxyphenyl)ethenyl]-2-phenyl-cyclopropane-1-carbohydrazide
MOLECULAR FORMULA: C18H18N2O2
MOLECULAR WEIGHT: 294.34772
SMILES: C=C(C1=CC=CC=C1O)NNC(=O)C2CC2C3=CC=CC=C3
Structure:
CAS RN: 6303-72-6
CAS Name: 1,5-dimethyl-N-[5-methyl-2-(4-methylphenyl)azophenyl]-3-pyrazolecarboxamide
OPENEYE Name: 1,5-dimethyl-N-[5-methyl-2-(p-tolylazo)phenyl]pyrazole-3-carboxamide
IUPAC Name: 1,5-dimethyl-N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrazole-3-carboxamide
SYSTEMATIC NAME: 1,5-dimethyl-N-[5-methyl-2-[(4-methylphenyl)diazenyl]phenyl]pyrazole-3-carboxamide
MOLECULAR FORMULA: C20H21N5O
MOLECULAR WEIGHT: 347.41364
SMILES: CC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)C)NC(=O)C3=NN(C(=C3)C)C
Structure:
CAS RN: 6817-95-4
CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[[(2-bromophenyl)-oxomethyl]amino]-2-propenoic acid methyl ester
OPENEYE Name: methyl 3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate
IUPAC Name: methyl 3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate
SYSTEMATIC NAME: methyl 3-(1,3-benzodioxol-5-yl)-2-[(2-bromophenyl)carbonylamino]prop-2-enoate
MOLECULAR FORMULA: C18H14BrNO5
MOLECULAR WEIGHT: 404.21146
SMILES: COC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Br
Structure:
CAS RN: 5431-20-9
CAS Name: N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-chloro-3-pyridinecarboxamide
OPENEYE Name: N-[(3-bromo-4-isopropoxy-5-methoxy-phenyl)methyleneamino]-2-chloro-pyridine-3-carboxamide
IUPAC Name: N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
SYSTEMATIC NAME: N-[(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)methylideneamino]-2-chloranyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C17H17BrClN3O3
MOLECULAR WEIGHT: 426.69218
SMILES: CC(C)OC1=C(C=C(C=C1Br)C=NNC(=O)C2=C(N=CC=C2)Cl)OC
Structure:
CAS RN: 6672-74-8
CAS Name: dibutyl-methyl-tridecylammonium
OPENEYE Name: dibutyl-methyl-tridecyl-ammonium
IUPAC Name: dibutyl-methyl-tridecylazanium
SYSTEMATIC NAME: dibutyl-methyl-tridecyl-azanium
MOLECULAR FORMULA: C22H48N+
MOLECULAR WEIGHT: 326.62322
SMILES: CCCCCCCCCCCCC[N+](C)(CCCC)CCCC
Structure:
CAS RN: 6672-13-5
CAS Name: 4-[[(2-chloro-4-fluorophenoxy)-oxomethyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[(2-chloro-4-fluoro-phenoxy)carbonylamino]benzoate
IUPAC Name: ethyl 4-[(2-chloro-4-fluorophenoxy)carbonylamino]benzoate
SYSTEMATIC NAME: ethyl 4-[(2-chloranyl-4-fluoranyl-phenoxy)carbonylamino]benzoate
MOLECULAR FORMULA: C16H13ClFNO4
MOLECULAR WEIGHT: 337.730123
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)OC2=C(C=C(C=C2)F)Cl
Structure:
CAS RN: 6668-45-7
CAS Name: N,N-diethyl-4-[(4-phenoxyphenyl)iminomethyl]aniline
OPENEYE Name: N,N-diethyl-4-[(4-phenoxyphenyl)iminomethyl]aniline
IUPAC Name: N,N-diethyl-4-[(4-phenoxyphenyl)iminomethyl]aniline
SYSTEMATIC NAME: N,N-diethyl-4-[(4-phenoxyphenyl)iminomethyl]aniline
MOLECULAR FORMULA: C23H24N2O
MOLECULAR WEIGHT: 344.44946
SMILES: CCN(CC)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)OC3=CC=CC=C3
Structure:
CAS RN: 6225-63-4
CAS Name: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide
OPENEYE Name: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-[(4-methyl-1-piperidyl)sulfonyl]benzamide
IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SYSTEMATIC NAME: N-[3-(1,3-benzothiazol-2-yl)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl]-4-(4-methylpiperidin-1-yl)sulfonyl-benzamide
MOLECULAR FORMULA: C31H36N4O3S3
MOLECULAR WEIGHT: 608.83754
SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)C(NC(C4)(C)C)(C)C)C5=NC6=CC=CC=C6S5
Structure:
CAS RN: 5898-95-3
CAS Name: 4-butyl-N-[4-(4-methyl-1-piperidinyl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]benzamide
OPENEYE Name: 4-butyl-N-[4-(4-methyl-1-piperidyl)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
IUPAC Name: 4-butyl-N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SYSTEMATIC NAME: 4-butyl-N-[4-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]benzamide
MOLECULAR FORMULA: C28H37N3O2
MOLECULAR WEIGHT: 447.61228
SMILES: CCCCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)C)C(=O)N4CCCC4
Structure:
CAS RN: 5793-08-8
CAS Name: N-[(2,4-dichlorophenyl)methylideneamino]tetradecanamide
OPENEYE Name: N-[(2,4-dichlorophenyl)methyleneamino]tetradecanamide
IUPAC Name: N-[(2,4-dichlorophenyl)methylideneamino]tetradecanamide
SYSTEMATIC NAME: N-[(2,4-dichlorophenyl)methylideneamino]tetradecanamide
MOLECULAR FORMULA: C21H32Cl2N2O
MOLECULAR WEIGHT: 399.39758
SMILES: CCCCCCCCCCCCCC(=O)NN=CC1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 6195-80-8
CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-4-oxo-2-quinazolinyl]thio]-N-ethyl-N-(3-methylphenyl)acetamide
OPENEYE Name: 2-[3-(1,3-benzodioxol-5-yl)-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-N-(m-tolyl)acetamide
IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)ethanamide
MOLECULAR FORMULA: C26H23N3O4S
MOLECULAR WEIGHT: 473.54352
SMILES: CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5
Structure:
CAS RN: 5513-81-5
CAS Name: 1-[(4-bromophenyl)methyl]-N-(3-chlorophenyl)-4-piperidinamine
OPENEYE Name: 1-[(4-bromophenyl)methyl]-N-(3-chlorophenyl)piperidin-4-amine
IUPAC Name: 1-[(4-bromophenyl)methyl]-N-(3-chlorophenyl)piperidin-4-amine
SYSTEMATIC NAME: 1-[(4-bromophenyl)methyl]-N-(3-chlorophenyl)piperidin-4-amine
MOLECULAR FORMULA: C18H20BrClN2
MOLECULAR WEIGHT: 379.7218
SMILES: C1CN(CCC1NC2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)Br
Structure:
CAS RN: 6172-07-2
CAS Name: N-[(2-fluorophenyl)methylideneamino]-2-(4-nitro-1-pyrazolyl)acetamide
OPENEYE Name: N-[(2-fluorophenyl)methyleneamino]-2-(4-nitropyrazol-1-yl)acetamide
IUPAC Name: N-[(2-fluorophenyl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
SYSTEMATIC NAME: N-[(2-fluorophenyl)methylideneamino]-2-(4-nitropyrazol-1-yl)ethanamide
MOLECULAR FORMULA: C12H10FN5O3
MOLECULAR WEIGHT: 291.237903
SMILES: C1=CC=C(C(=C1)C=NNC(=O)CN2C=C(C=N2)[N+](=O)[O-])F
Structure:
CAS RN: 6256-77-5
CAS Name: 8-[(3,5-dimethyl-1-piperidinyl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 8-[(3,5-dimethyl-1-piperidyl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C18H29N5O3
MOLECULAR WEIGHT: 363.45456
SMILES: CC1CC(CN(C1)CC2=NC3=C(N2CCOC)C(=O)N(C(=O)N3C)C)C
Structure:
CAS RN: 6256-16-2
CAS Name: 2-methyl-5-[(4-methyl-1-piperidinyl)-(4-nitrophenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol
OPENEYE Name: 2-methyl-5-[(4-methyl-1-piperidyl)-(4-nitrophenyl)methyl]thiazolo[3,2-b][1,2,4]triazol-6-ol
IUPAC Name: 2-methyl-5-[(4-methylpiperidin-1-yl)-(4-nitrophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SYSTEMATIC NAME: 2-methyl-5-[(4-methylpiperidin-1-yl)-(4-nitrophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
MOLECULAR FORMULA: C18H21N5O3S
MOLECULAR WEIGHT: 387.45604
SMILES: CC1CCN(CC1)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N4C(=NC(=N4)C)S3)O
Structure:
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