CAS RN: 5636-30-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H24N2O4
MOLECULAR WEIGHT: 440.49046
SMILES: COC(C12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)CC6=CN=CC=C6)OC
Structure:
CAS RN: 5635-42-7
CAS Name: (3-nitrophenyl)-[2,2,4-trimethyl-6-(triphenylmethyl)-1-quinolinyl]methanone
OPENEYE Name: (3-nitrophenyl)-(2,2,4-trimethyl-6-trityl-1-quinolyl)methanone
IUPAC Name: (3-nitrophenyl)-(2,2,4-trimethyl-6-tritylquinolin-1-yl)methanone
SYSTEMATIC NAME: (3-nitrophenyl)-[2,2,4-trimethyl-6-(triphenylmethyl)quinolin-1-yl]methanone
MOLECULAR FORMULA: C38H32N2O3
MOLECULAR WEIGHT: 564.67228
SMILES: CC1=CC(N(C2=C1C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=CC(=CC=C6)[N+](=O)[O-])(C)C
Structure:
CAS RN: 5635-14-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H19ClN2O4
MOLECULAR WEIGHT: 458.89306
SMILES: C1C2C=CC1C3C2C(=O)N(C3=O)C4=C(C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6C=C5O)Cl
Structure:
CAS RN: 5634-95-7
CAS Name: 3-chloro-N-[4-nitro-3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
OPENEYE Name: 3-chloro-N-[4-nitro-3-(trifluoromethyl)phenyl]benzothiophene-2-carboxamide
IUPAC Name: 3-chloro-N-[4-nitro-3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: 3-chloranyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C16H8ClF3N2O3S
MOLECULAR WEIGHT: 400.75953
SMILES: C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)Cl
Structure:
CAS RN: 5634-81-1
CAS Name: 5-(4-ethylphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
OPENEYE Name: 5-(4-ethylphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
IUPAC Name: 5-(4-ethylphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
SYSTEMATIC NAME: 5-(4-ethylphenyl)-2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
MOLECULAR FORMULA: C27H27NO
MOLECULAR WEIGHT: 381.50938
SMILES: CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54
Structure:
CAS RN: 5634-55-9
CAS Name: 2-thiophenecarboxylic acid [2-(3,4-dichlorophenyl)-2-oxoethyl] ester
OPENEYE Name: [2-(3,4-dichlorophenyl)-2-oxo-ethyl] thiophene-2-carboxylate
IUPAC Name: [2-(3,4-dichlorophenyl)-2-oxoethyl] thiophene-2-carboxylate
SYSTEMATIC NAME: [2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] thiophene-2-carboxylate
MOLECULAR FORMULA: C13H8Cl2O3S
MOLECULAR WEIGHT: 315.17182
SMILES: C1=CSC(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 5633-84-1
CAS Name: 5-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester
OPENEYE Name: methyl 5-(o-tolyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
IUPAC Name: methyl 5-(2-methylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
SYSTEMATIC NAME: methyl 5-(2-methylphenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
MOLECULAR FORMULA: C14H13N3O4
MOLECULAR WEIGHT: 287.27072
SMILES: CC1=CC=CC=C1N2C(=O)C3C(C2=O)NN=C3C(=O)OC
Structure:
CAS RN: 5630-97-7
CAS Name: N-(1-hydroxy-9,10-dioxo-2-anthracenyl)benzamide
OPENEYE Name: N-(1-hydroxy-9,10-dioxo-2-anthryl)benzamide
IUPAC Name: N-(1-hydroxy-9,10-dioxoanthracen-2-yl)benzamide
SYSTEMATIC NAME: N-[1-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]benzamide
MOLECULAR FORMULA: C21H13NO4
MOLECULAR WEIGHT: 343.33222
SMILES: C1=CC=C(C=C1)C(=O)NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)O
Structure:
CAS RN: 5629-90-3
CAS Name: 4-(1,3-diphenyl-4-pyrazolyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(1,3-diphenylpyrazol-4-yl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: ethyl 4-(1,3-diphenylpyrazol-4-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 4-(1,3-diphenylpyrazol-4-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C23H22N4O2S
MOLECULAR WEIGHT: 418.51138
SMILES: CCOC(=O)C1=C(NC(=S)NC1C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C
Structure:
CAS RN: 5629-65-2
CAS Name: 5-(2-methylphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
OPENEYE Name: 5-(o-tolyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
IUPAC Name: 5-(2-methylphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
SYSTEMATIC NAME: 5-(2-methylphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
MOLECULAR FORMULA: C24H21NO
MOLECULAR WEIGHT: 339.42964
SMILES: CC1=CC=CC=C1C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54
Structure:
CAS RN: 5629-04-9
CAS Name: 4-[(2-chlorophenyl)-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
OPENEYE Name: 4-[(2-chlorophenyl)-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
IUPAC Name: 4-[(2-chlorophenyl)-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
SYSTEMATIC NAME: 4-[(2-chlorophenyl)-[2-(3,4-dimethylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methyl]-2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
MOLECULAR FORMULA: C31H31ClN4O2
MOLECULAR WEIGHT: 527.05644
SMILES: CC1=C(C=C(C=C1)N2C(=O)C(C(=N2)C)C(C3=CC=CC=C3Cl)C4=C(NN(C4=O)C5=CC(=C(C=C5)C)C)C)C
Structure:
CAS RN: 63148-67-4
CAS Name: 1-[2-[2-hydroxy-3-(1-piperidinyl)propoxy]phenyl]-3-phenyl-1-propanone
OPENEYE Name: 1-[2-[2-hydroxy-3-(1-piperidyl)propoxy]phenyl]-3-phenyl-propan-1-one
IUPAC Name: 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
SYSTEMATIC NAME: 1-[2-(2-oxidanyl-3-piperidin-1-yl-propoxy)phenyl]-3-phenyl-propan-1-one
MOLECULAR FORMULA: C23H29NO3
MOLECULAR WEIGHT: 367.48126
SMILES: C1CCN(CC1)CC(COC2=CC=CC=C2C(=O)CCC3=CC=CC=C3)O
Structure:
CAS RN: 5628-56-8
CAS Name: 2-(4-chlorophenyl)-4-[(2-chlorophenyl)-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-4H-pyrazol-3-one
OPENEYE Name: 2-(4-chlorophenyl)-4-[(2-chlorophenyl)-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-4H-pyrazol-3-one
IUPAC Name: 2-(4-chlorophenyl)-4-[(2-chlorophenyl)-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-4H-pyrazol-3-one
SYSTEMATIC NAME: 2-(4-chlorophenyl)-4-[(2-chlorophenyl)-[2-(4-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methyl]-5-methyl-4H-pyrazol-3-one
MOLECULAR FORMULA: C27H21Cl3N4O2
MOLECULAR WEIGHT: 539.84024
SMILES: CC1=NN(C(=O)C1C(C2=CC=CC=C2Cl)C3=C(NN(C3=O)C4=CC=C(C=C4)Cl)C)C5=CC=C(C=C5)Cl
Structure:
CAS RN: 5628-09-1
CAS Name: 2-(4-methoxy-N-methylsulfonylanilino)propanoic acid ethyl ester
OPENEYE Name: ethyl 2-(4-methoxy-N-methylsulfonyl-anilino)propanoate
IUPAC Name: ethyl 2-(4-methoxy-N-methylsulfonylanilino)propanoate
SYSTEMATIC NAME: ethyl 2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanoate
MOLECULAR FORMULA: C13H19NO5S
MOLECULAR WEIGHT: 301.35866
SMILES: CCOC(=O)C(C)N(C1=CC=C(C=C1)OC)S(=O)(=O)C
Structure:
CAS RN: 5627-86-1
CAS Name: 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide
OPENEYE Name: 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide
IUPAC Name: 2-(N-(2-nitrophenyl)sulfonylanilino)-N-(1-phenylethyl)acetamide
SYSTEMATIC NAME: 2-[(2-nitrophenyl)sulfonyl-phenyl-amino]-N-(1-phenylethyl)ethanamide
MOLECULAR FORMULA: C22H21N3O5S
MOLECULAR WEIGHT: 439.48424
SMILES: CC(C1=CC=CC=C1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]
Structure:
CAS RN: 5627-65-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H15N3O3
MOLECULAR WEIGHT: 309.3193
SMILES: C1CC12C3C=CC2C4C3C(=O)N(C4=O)NC(=O)C5=CC=NC=C5
Structure:
CAS RN: 5627-31-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H16N2O4
MOLECULAR WEIGHT: 324.33064
SMILES: CC(=C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4[N+](=O)[O-])C
Structure:
CAS RN: 5626-76-6
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-butanone
OPENEYE Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-butan-1-one
IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybutan-1-one
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanyl-butan-1-one
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)CCCO
Structure:
CAS RN: 100061-23-2
CAS Name: 3-acetamido-3-(4-nitrophenyl)propanoic acid
OPENEYE Name: 3-acetamido-3-(4-nitrophenyl)propanoic acid
IUPAC Name: 3-acetamido-3-(4-nitrophenyl)propanoic acid
SYSTEMATIC NAME: 3-acetamido-3-(4-nitrophenyl)propanoic acid
MOLECULAR FORMULA: C11H12N2O5
MOLECULAR WEIGHT: 252.22338
SMILES: CC(=O)NC(CC(=O)O)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 5626-61-9
CAS Name: 1-[[(3-bromophenyl)-oxomethyl]amino]-3-ethylthiourea
OPENEYE Name: 1-[(3-bromobenzoyl)amino]-3-ethyl-thiourea
IUPAC Name: 1-[(3-bromobenzoyl)amino]-3-ethylthiourea
SYSTEMATIC NAME: 1-[(3-bromophenyl)carbonylamino]-3-ethyl-thiourea
MOLECULAR FORMULA: C10H12BrN3OS
MOLECULAR WEIGHT: 302.19078
SMILES: CCNC(=S)NNC(=O)C1=CC(=CC=C1)Br
Structure:
CAS RN: 5625-92-3
CAS Name: 1,3-bis[(2-chlorophenyl)methyl]-5-(4-morpholinyl)-6-nitro-2-benzimidazolone
OPENEYE Name: 1,3-bis[(2-chlorophenyl)methyl]-5-morpholino-6-nitro-benzimidazol-2-one
IUPAC Name: 1,3-bis[(2-chlorophenyl)methyl]-5-morpholin-4-yl-6-nitrobenzimidazol-2-one
SYSTEMATIC NAME: 1,3-bis[(2-chlorophenyl)methyl]-5-morpholin-4-yl-6-nitro-benzimidazol-2-one
MOLECULAR FORMULA: C25H22Cl2N4O4
MOLECULAR WEIGHT: 513.37258
SMILES: C1COCCN1C2=C(C=C3C(=C2)N(C(=O)N3CC4=CC=CC=C4Cl)CC5=CC=CC=C5Cl)[N+](=O)[O-]
Structure:
CAS RN: 5624-85-1
CAS Name: 2-(3,4-dimethoxyphenyl)-N,N-diphenylacetamide
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-N,N-diphenyl-acetamide
IUPAC Name: 2-(3,4-dimethoxyphenyl)-N,N-diphenylacetamide
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-N,N-diphenyl-ethanamide
MOLECULAR FORMULA: C22H21NO3
MOLECULAR WEIGHT: 347.40704
SMILES: COC1=C(C=C(C=C1)CC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)OC
Structure:
CAS RN: 5624-72-6
CAS Name: (E)-2-[4-(4-chlorophenyl)-2-thiazolyl]-3-(4-nitroanilino)-2-propenenitrile
OPENEYE Name: (E)-2-[4-(4-chlorophenyl)thiazol-2-yl]-3-(4-nitroanilino)prop-2-enenitrile
IUPAC Name: (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-nitroanilino)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(4-nitrophenyl)amino]prop-2-enenitrile
MOLECULAR FORMULA: C18H11ClN4O2S
MOLECULAR WEIGHT: 382.82354
SMILES: C1=CC(=CC=C1C2=CSC(=N2)/C(=C/NC3=CC=C(C=C3)[N+](=O)[O-])/C#N)Cl
Structure:
CAS RN: 5623-92-7
CAS Name: 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-(2-propoxyphenyl)acetamide
OPENEYE Name: 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-(2-propoxyphenyl)acetamide
IUPAC Name: 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-(2-propoxyphenyl)acetamide
SYSTEMATIC NAME: 2-[3-oxidanylidene-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-(2-propoxyphenyl)ethanamide
MOLECULAR FORMULA: C20H19F3N2O3S
MOLECULAR WEIGHT: 424.43667
SMILES: CCCOC1=CC=CC=C1NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F
Structure:
CAS RN: 5622-96-8
CAS Name: (E)-2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-(4-nitroanilino)-2-propenenitrile
OPENEYE Name: (E)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-(4-nitroanilino)prop-2-enenitrile
IUPAC Name: (E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-nitroanilino)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-nitrophenyl)amino]prop-2-enenitrile
MOLECULAR FORMULA: C20H16N4O4S
MOLECULAR WEIGHT: 408.43044
SMILES: COC1=C(C=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC=C(C=C3)[N+](=O)[O-])/C#N)OC
Structure:
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