CAS RN: 6000-32-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H19N3OS2
MOLECULAR WEIGHT: 309.45016
SMILES: CCC1(CC2=C(CO1)SC3=NC(=NC(=C23)N)SCC)C
Structure:
CAS RN: 6000-18-6
CAS Name: 2-cyano-2-[2-ethyl-4-(4-fluorophenyl)-2-methyl-4-oxanyl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-cyano-2-[2-ethyl-4-(4-fluorophenyl)-2-methyl-tetrahydropyran-4-yl]acetate
IUPAC Name: ethyl 2-cyano-2-[2-ethyl-4-(4-fluorophenyl)-2-methyloxan-4-yl]acetate
SYSTEMATIC NAME: ethyl 2-cyano-2-[2-ethyl-4-(4-fluorophenyl)-2-methyl-oxan-4-yl]ethanoate
MOLECULAR FORMULA: C19H24FNO3
MOLECULAR WEIGHT: 333.397163
SMILES: CCC1(CC(CCO1)(C2=CC=C(C=C2)F)C(C#N)C(=O)OCC)C
Structure:
CAS RN: 6000-14-2
CAS Name: 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyl-4-oxanyl]acetonitrile
OPENEYE Name: 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyl-tetrahydropyran-4-yl]acetonitrile
IUPAC Name: 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyloxan-4-yl]acetonitrile
SYSTEMATIC NAME: 2-[2-ethyl-4-(2-methoxyphenyl)-2-methyl-oxan-4-yl]ethanenitrile
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CCC1(CC(CCO1)(CC#N)C2=CC=CC=C2OC)C
Structure:
CAS RN: 5995-61-9
CAS Name: 2-(1-pyrrolidinyl)acetic acid 3,7-dimethyloctyl ester
OPENEYE Name: 3,7-dimethyloctyl 2-pyrrolidin-1-ylacetate
IUPAC Name: 3,7-dimethyloctyl 2-pyrrolidin-1-ylacetate
SYSTEMATIC NAME: 3,7-dimethyloctyl 2-pyrrolidin-1-ylethanoate
MOLECULAR FORMULA: C16H31NO2
MOLECULAR WEIGHT: 269.42284
SMILES: CC(C)CCCC(C)CCOC(=O)CN1CCCC1
Structure:
CAS RN: 5988-74-9
CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(p-tolylmethyl)pyrrolidine-2,5-dione
IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CC1=CC=C(C=C1)CC2CC(=O)N(C2=O)CCC3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 5988-52-3
CAS Name: [1-(2-bromoprop-2-enyl)-2-benzimidazolyl]methanol
OPENEYE Name: [1-(2-bromoallyl)benzimidazol-2-yl]methanol
IUPAC Name: [1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methanol
SYSTEMATIC NAME: [1-(2-bromanylprop-2-enyl)benzimidazol-2-yl]methanol
MOLECULAR FORMULA: C11H11BrN2O
MOLECULAR WEIGHT: 267.12184
SMILES: C=C(CN1C2=CC=CC=C2N=C1CO)Br
Structure:
CAS RN: 5987-32-6
CAS Name: 3-(4-bromoanilino)-6,7-dimethoxy-3H-isobenzofuran-1-one
OPENEYE Name: 3-(4-bromoanilino)-6,7-dimethoxy-3H-isobenzofuran-1-one
IUPAC Name: 3-(4-bromoanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3-[(4-bromophenyl)amino]-6,7-dimethoxy-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C16H14BrNO4
MOLECULAR WEIGHT: 364.19066
SMILES: COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC=C(C=C3)Br)OC
Structure:
CAS RN: 5987-01-9
CAS Name: 2-(4-nitroanilino)-4-oxo-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-(4-nitroanilino)-4-oxo-thiophene-3-carboxylate
IUPAC Name: ethyl 2-(4-nitroanilino)-4-oxothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[(4-nitrophenyl)amino]-4-oxidanylidene-thiophene-3-carboxylate
MOLECULAR FORMULA: C13H12N2O5S
MOLECULAR WEIGHT: 308.30978
SMILES: CCOC(=O)C1=C(SCC1=O)NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 5986-31-2
CAS Name: 4-(4-chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
OPENEYE Name: 4-(4-chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
IUPAC Name: 4-(4-chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
SYSTEMATIC NAME: 4-(4-chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
MOLECULAR FORMULA: C21H16ClN3O2
MOLECULAR WEIGHT: 377.82364
SMILES: C1C(NC2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 26586-26-5
CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid
OPENEYE Name: 3-nitro-4-(1-piperidyl)benzoic acid
IUPAC Name: 3-nitro-4-piperidin-1-ylbenzoic acid
SYSTEMATIC NAME: 3-nitro-4-piperidin-1-yl-benzoic acid
MOLECULAR FORMULA: C12H14N2O4
MOLECULAR WEIGHT: 250.25056
SMILES: C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 5986-18-5
CAS Name: 4-(3-iodophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
OPENEYE Name: 4-(3-iodophenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
IUPAC Name: 4-(3-iodophenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-(3-iodanylphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C18H16IN3OS
MOLECULAR WEIGHT: 449.30861
SMILES: CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)I)C(=O)NC3=CC=CC=C3
Structure:
CAS RN: 5986-08-3
CAS Name: N-(3-chlorophenyl)-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
OPENEYE Name: N-(3-chlorophenyl)-4-(2-fluorophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
IUPAC Name: N-(3-chlorophenyl)-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-4-(2-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C18H15ClFN3OS
MOLECULAR WEIGHT: 375.847603
SMILES: CC1=C(C(NC(=S)N1)C2=CC=CC=C2F)C(=O)NC3=CC(=CC=C3)Cl
Structure:
CAS RN: 5985-95-5
CAS Name: 4-(3,4-dihydroxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
OPENEYE Name: 4-(3,4-dihydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
IUPAC Name: 4-(3,4-dihydroxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-[3,4-bis(oxidanyl)phenyl]-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C18H17N3O3S
MOLECULAR WEIGHT: 355.41088
SMILES: CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)O)C(=O)NC3=CC=CC=C3
Structure:
CAS RN: 5984-87-2
CAS Name: 2,5-dimethyl-1-(4-nitrophenyl)-3-pyrrolecarboxaldehyde
OPENEYE Name: 2,5-dimethyl-1-(4-nitrophenyl)pyrrole-3-carbaldehyde
IUPAC Name: 2,5-dimethyl-1-(4-nitrophenyl)pyrrole-3-carbaldehyde
SYSTEMATIC NAME: 2,5-dimethyl-1-(4-nitrophenyl)pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C=O
Structure:
CAS RN: 5983-50-6
CAS Name: 4-(3-chlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
OPENEYE Name: 4-(3-chlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
IUPAC Name: 4-(3-chlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-(3-chlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C19H18ClN3O3
MOLECULAR WEIGHT: 371.81752
SMILES: CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)OC
Structure:
CAS RN: 5983-12-0
CAS Name: 9-(4-methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
OPENEYE Name: 9-(4-methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC Name: 9-(4-methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: 9-(4-methoxyphenyl)-6-[4-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C27H23F3N2O2
MOLECULAR WEIGHT: 464.47893
SMILES: COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(F)(F)F)C(=O)C2
Structure:
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