CAS RN: 5916-00-7
CAS Name: N-(4-benzamidophenyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide
OPENEYE Name: N-(4-benzamidophenyl)-4-methyl-3-(1-piperidylsulfonyl)benzamide
IUPAC Name: N-(4-benzamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: N-(4-benzamidophenyl)-4-methyl-3-piperidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C26H27N3O4S
MOLECULAR WEIGHT: 477.57528
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)N4CCCCC4
Structure:
CAS RN: 5915-93-5
CAS Name: pyrrolidine-1,2-dicarboxylic acid O2-[2-(4-nitrophenyl)-2-oxoethyl] ester O1-phenyl ester
OPENEYE Name: O2-[2-(4-nitrophenyl)-2-oxo-ethyl] O1-phenyl pyrrolidine-1,2-dicarboxylate
IUPAC Name: 2-O-[2-(4-nitrophenyl)-2-oxoethyl] 1-O-phenyl pyrrolidine-1,2-dicarboxylate
SYSTEMATIC NAME: O2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] O1-phenyl pyrrolidine-1,2-dicarboxylate
MOLECULAR FORMULA: C20H18N2O7
MOLECULAR WEIGHT: 398.36612
SMILES: C1CC(N(C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 5915-64-0
CAS Name: 4-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
OPENEYE Name: 4-[3-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
IUPAC Name: 4-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
SYSTEMATIC NAME: 4-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
MOLECULAR FORMULA: C19H19N3O4S
MOLECULAR WEIGHT: 385.43686
SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4
Structure:
CAS RN: 5915-57-1
CAS Name: 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)-1-butanone dihydrochloride
OPENEYE Name: 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one dihydrochloride
IUPAC Name: 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one dihydrochloride
SYSTEMATIC NAME: 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)butan-1-one dihydrochloride
MOLECULAR FORMULA: C18H27Cl2FN2O
MOLECULAR WEIGHT: 377.324183
SMILES: C1CCN2CCN(CC2C1)CCCC(=O)C3=CC=C(C=C3)F.Cl.Cl
Structure:
CAS RN: 5915-39-9
CAS Name: 5-cyano-4-(2-furanyl)-N-(2-methoxyphenyl)-2-methyl-6-(prop-2-enylthio)-1,4-dihydropyridine-3-carboxamide
OPENEYE Name: 6-allylsulfanyl-5-cyano-4-(2-furyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
IUPAC Name: 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carboxamide
SYSTEMATIC NAME: 5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-6-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carboxamide
MOLECULAR FORMULA: C22H21N3O3S
MOLECULAR WEIGHT: 407.48544
SMILES: CC1=C(C(C(=C(N1)SCC=C)C#N)C2=CC=CO2)C(=O)NC3=CC=CC=C3OC
Structure:
CAS RN: 5915-09-3
CAS Name: N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
OPENEYE Name: N-(2-methoxyphenyl)-3-phenyl-2-(p-tolylsulfonylamino)propanamide
IUPAC Name: N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SYSTEMATIC NAME: N-(2-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide
MOLECULAR FORMULA: C23H24N2O4S
MOLECULAR WEIGHT: 424.51266
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3OC
Structure:
CAS RN: 5914-96-5
CAS Name: 4-hydroxy-2-[(4-methoxyanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 4-hydroxy-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
IUPAC Name: benzyl 4-hydroxy-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 2-[(4-methoxyphenyl)carbamoyl]-4-oxidanyl-pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C20H22N2O5
MOLECULAR WEIGHT: 370.39908
SMILES: COC1=CC=C(C=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)O
Structure:
CAS RN: 5914-81-8
CAS Name: 2-chloro-N-(2-hydroxyphenyl)-5-(1-piperidinylsulfonyl)benzamide
OPENEYE Name: 2-chloro-N-(2-hydroxyphenyl)-5-(1-piperidylsulfonyl)benzamide
IUPAC Name: 2-chloro-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: 2-chloranyl-N-(2-hydroxyphenyl)-5-piperidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C18H19ClN2O4S
MOLECULAR WEIGHT: 394.87246
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3O
Structure:
CAS RN: 5914-68-1
CAS Name: 2-[[3-(2,2-dimethyl-4-oxanyl)-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl]thio]acetamide
OPENEYE Name: 2-[3-(2,2-dimethyltetrahydropyran-4-yl)-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetamide
IUPAC Name: 2-[3-(2,2-dimethyloxan-4-yl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetamide
SYSTEMATIC NAME: 2-[3-(2,2-dimethyloxan-4-yl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylethanamide
MOLECULAR FORMULA: C26H33N3O3S
MOLECULAR WEIGHT: 467.62352
SMILES: CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)N)C
Structure:
CAS RN: 5913-87-1
CAS Name: 4-hydroxypyrrolidine-1,2-dicarboxylic acid O2-[2-(4-chlorophenyl)-2-oxoethyl] ester O1-phenyl ester
OPENEYE Name: O2-[2-(4-chlorophenyl)-2-oxo-ethyl] O1-phenyl 4-hydroxypyrrolidine-1,2-dicarboxylate
IUPAC Name: 2-O-[2-(4-chlorophenyl)-2-oxoethyl] 1-O-phenyl 4-hydroxypyrrolidine-1,2-dicarboxylate
SYSTEMATIC NAME: O2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] O1-phenyl 4-oxidanylpyrrolidine-1,2-dicarboxylate
MOLECULAR FORMULA: C20H18ClNO6
MOLECULAR WEIGHT: 403.81302
SMILES: C1C(CN(C1C(=O)OCC(=O)C2=CC=C(C=C2)Cl)C(=O)OC3=CC=CC=C3)O
Structure:
CAS RN: 5913-52-0
CAS Name: 2-[[5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]-N-phenylacetamide
OPENEYE Name: 2-[[5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenyl-acetamide
IUPAC Name: 2-[[5-cyano-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[[5-cyano-4-(4-fluorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C20H16FN3O2S
MOLECULAR WEIGHT: 381.423343
SMILES: C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=C(C=C3)F
Structure:
CAS RN: 5913-12-2
CAS Name: 3-amino-1-(3-nitrophenyl)-1H-benzo[f][1]benzopyran-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate
IUPAC Name: ethyl 3-amino-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate
SYSTEMATIC NAME: ethyl 3-azanyl-1-(3-nitrophenyl)-1H-benzo[f]chromene-2-carboxylate
MOLECULAR FORMULA: C22H18N2O5
MOLECULAR WEIGHT: 390.38872
SMILES: CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4C=C2)N
Structure:
CAS RN: 4329-20-8
CAS Name: 4-[2-benzamido-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-[2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-carboxylate
IUPAC Name: ethyl 4-[2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[2-benzamido-3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C23H24ClN3O4
MOLECULAR WEIGHT: 441.90736
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C(=CC2=CC=CC=C2Cl)NC(=O)C3=CC=CC=C3
Structure:
CAS RN: 5909-97-7
CAS Name: 3-(2-furanyl)-1-hydroxy-2,2-dimethyl-4-oxido-1-aza-4-azoniaspiro[4.6]undec-3-en-11-one
OPENEYE Name: 3-(2-furyl)-1-hydroxy-2,2-dimethyl-4-oxido-1-aza-4-azoniaspiro[4.6]undec-3-en-11-one
IUPAC Name: 3-(furan-2-yl)-1-hydroxy-2,2-dimethyl-4-oxido-1-aza-4-azoniaspiro[4.6]undec-3-en-11-one
SYSTEMATIC NAME: 3-(furan-2-yl)-2,2-dimethyl-4-oxidanidyl-1-oxidanyl-1-aza-4-azoniaspiro[4.6]undec-3-en-11-one
MOLECULAR FORMULA: C15H20N2O4
MOLECULAR WEIGHT: 292.3303
SMILES: CC1(C(=[N+](C2(N1O)CCCCCC2=O)[O-])C3=CC=CO3)C
Structure:
CAS RN: 5909-57-9
CAS Name: 2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate
IUPAC Name: ethyl 2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate
SYSTEMATIC NAME: ethyl 2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)OCC)C=C1
Structure:
CAS RN: 5906-18-3
CAS Name: 5-(4-methylphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
OPENEYE Name: 2-phenyl-5-(p-tolyl)-3-(2-thienyl)-3,4-dihydropyrazole
IUPAC Name: 5-(4-methylphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
SYSTEMATIC NAME: 5-(4-methylphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
MOLECULAR FORMULA: C20H18N2S
MOLECULAR WEIGHT: 318.43532
SMILES: CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C4=CC=CC=C4
Structure:
CAS RN: 5905-53-3
CAS Name: 1-(4-methylphenyl)-3-(2-oxolanyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(p-tolyl)-3-tetrahydrofuran-2-yl-pyrrolidine-2,5-dione
IUPAC Name: 1-(4-methylphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(4-methylphenyl)-3-(oxolan-2-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C15H17NO3
MOLECULAR WEIGHT: 259.30038
SMILES: CC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3CCCO3
Structure:
CAS RN: 5903-59-3
CAS Name: 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(3,4-dichlorophenyl)-2-imino-5-methyl-4-imidazolidinone
OPENEYE Name: 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(3,4-dichlorophenyl)-2-imino-5-methyl-imidazolidin-4-one
IUPAC Name: 1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(3,4-dichlorophenyl)-2-imino-5-methylimidazolidin-4-one
SYSTEMATIC NAME: 2-azanylidene-1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-3-(3,4-dichlorophenyl)-5-methyl-imidazolidin-4-one
MOLECULAR FORMULA: C17H20Cl2N8O
MOLECULAR WEIGHT: 423.2997
SMILES: CC1C(=O)N(C(=N)N1C2=NC(=NC(=N2)N(C)C)N(C)C)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 5899-50-3
CAS Name: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]thio]acetohydrazide
OPENEYE Name: 2-[[5-(4-bromophenyl)-4-(2-methylallyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
IUPAC Name: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
SYSTEMATIC NAME: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]ethanehydrazide
MOLECULAR FORMULA: C14H16BrN5OS
MOLECULAR WEIGHT: 382.27874
SMILES: CC(=C)CN1C(=NN=C1SCC(=O)NN)C2=CC=C(C=C2)Br
Structure:
CAS RN: 5895-63-6
CAS Name: N'-[(4-tert-butylcyclohexylidene)amino]-N-[(4-methoxyphenyl)methyl]oxamide
OPENEYE Name: N'-[(4-tert-butylcyclohexylidene)amino]-N-[(4-methoxyphenyl)methyl]oxamide
IUPAC Name: N'-[(4-tert-butylcyclohexylidene)amino]-N-[(4-methoxyphenyl)methyl]oxamide
SYSTEMATIC NAME: N'-[(4-tert-butylcyclohexylidene)amino]-N-[(4-methoxyphenyl)methyl]ethanediamide
MOLECULAR FORMULA: C20H29N3O3
MOLECULAR WEIGHT: 359.46256
SMILES: CC(C)(C)C1CCC(=NNC(=O)C(=O)NCC2=CC=C(C=C2)OC)CC1
Structure:
CAS RN: 5893-58-3
CAS Name: 2-amino-4-(2,4-dimethoxyphenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile
OPENEYE Name: 2-amino-4-(2,4-dimethoxyphenyl)-4H-benzothiopheno[3,2-b]pyran-3-carbonitrile
IUPAC Name: 2-amino-4-(2,4-dimethoxyphenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(2,4-dimethoxyphenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile
MOLECULAR FORMULA: C20H16N2O3S
MOLECULAR WEIGHT: 364.41764
SMILES: COC1=CC(=C(C=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N)OC
Structure:
CAS RN: 5885-20-1
CAS Name: 4-(6-chloro-4-oxo-1-benzopyran-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 4-(6-chloro-4-oxo-chromen-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: propan-2-yl 4-(6-chloro-4-oxochromen-3-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 4-(6-chloranyl-4-oxidanylidene-chromen-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C23H22ClNO5
MOLECULAR WEIGHT: 427.87748
SMILES: CC1=C(C(C2=C(N1)CCCC2=O)C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)OC(C)C
Structure:
CAS RN: 5885-07-4
CAS Name: 1-[(2-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
OPENEYE Name: 1-[(2-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
IUPAC Name: 1-[(2-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(2-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
MOLECULAR FORMULA: C19H23N3O3
MOLECULAR WEIGHT: 341.40422
SMILES: COC1=CC=CC=C1CN2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 5883-68-1
CAS Name: 6-(4-bromophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-(4-bromophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
IUPAC Name: ethyl 6-(4-bromophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
SYSTEMATIC NAME: ethyl 6-(4-bromophenyl)-8-methyl-4-oxidanylidene-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
MOLECULAR FORMULA: C17H17BrN2O3S
MOLECULAR WEIGHT: 409.29748
SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Br)C(=O)CCS2)C
Structure:
CAS RN: 5883-50-1
CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
OPENEYE Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
MOLECULAR FORMULA: C23H32N2O5
MOLECULAR WEIGHT: 416.51058
SMILES: COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC(=C(C=C3OC)OC)OC)OC
Structure:
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