CAS RN: 41708-76-3
CAS Name: (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoic acid [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl ester
OPENEYE Name: [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate
IUPAC Name: [(7R,8R)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
SYSTEMATIC NAME: [(7R,8R)-4-oxidanidyl-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-3-methyl-2-oxidanyl-2-[(1S)-1-oxidanylethyl]butanoate
MOLECULAR FORMULA: C15H25NO6
MOLECULAR WEIGHT: 315.3621
SMILES: C[C@@H]([C@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])O)O
Structure:
CAS RN: 14111-93-4
CAS Name: 1,10-bis(4-methylphenyl)decane-1,10-dione
OPENEYE Name: 1,10-bis(p-tolyl)decane-1,10-dione
IUPAC Name: 1,10-bis(4-methylphenyl)decane-1,10-dione
SYSTEMATIC NAME: 1,10-bis(4-methylphenyl)decane-1,10-dione
MOLECULAR FORMULA: C24H30O2
MOLECULAR WEIGHT: 350.4938
SMILES: CC1=CC=C(C=C1)C(=O)CCCCCCCCC(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 15986-27-3
CAS Name: 6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine
IUPAC Name: 6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C21H27N5
MOLECULAR WEIGHT: 349.47258
SMILES: CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCC3=CC=CC=C3)N)N)C
Structure:
CAS RN: 26319-80-2
CAS Name: (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)imino]-oxidoammonium
OPENEYE Name: (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)imino]-oxido-ammonium
IUPAC Name: (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)imino]-oxidoazanium
SYSTEMATIC NAME: (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)imino]-oxidanidyl-azanium
MOLECULAR FORMULA: C28H22N2O3
MOLECULAR WEIGHT: 434.48588
SMILES: COC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N=[N+](C4=CC5=C(C=C4)C6=C(C5)C=C(C=C6)OC)[O-]
Structure:
CAS RN: 24341-38-6
CAS Name: 1,2-bis(9H-fluoren-2-yl)hydrazine
OPENEYE Name: 1,2-bis(9H-fluoren-2-yl)hydrazine
IUPAC Name: 1,2-bis(9H-fluoren-2-yl)hydrazine
SYSTEMATIC NAME: 1,2-bis(9H-fluoren-2-yl)diazane
MOLECULAR FORMULA: C26H20N2
MOLECULAR WEIGHT: 360.4504
SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)NNC4=CC5=C(C=C4)C6=CC=CC=C6C5
Structure:
CAS RN: 1048-83-5
CAS Name: 4,5-diphenylfuran-2,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 4,5-diphenylfuran-2,3-dicarboxylate
IUPAC Name: dimethyl 4,5-diphenylfuran-2,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 4,5-diphenylfuran-2,3-dicarboxylate
MOLECULAR FORMULA: C20H16O5
MOLECULAR WEIGHT: 336.33804
SMILES: COC(=O)C1=C(OC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC
Structure:
CAS RN: 51596-01-1
CAS Name: 1,2-dimethyl-5-nitroindole
OPENEYE Name: 1,2-dimethyl-5-nitro-indole
IUPAC Name: 1,2-dimethyl-5-nitroindole
SYSTEMATIC NAME: 1,2-dimethyl-5-nitro-indole
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: CC1=CC2=C(N1C)C=CC(=C2)[N+](=O)[O-]
Structure:
CAS RN: 26290-47-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H6O5
MOLECULAR WEIGHT: 194.14094
SMILES: C1=CC2C3C(C1C(=O)O2)C(=O)OC3=O
Structure:
CAS RN: 64891-99-2
CAS Name: 1-(2,3-dimethylbut-3-en-2-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione
OPENEYE Name: 4-phenyl-1-(1,1,2-trimethylallyl)-1,2,4-triazolidine-3,5-dione
IUPAC Name: 1-(2,3-dimethylbut-3-en-2-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SYSTEMATIC NAME: 1-(2,3-dimethylbut-3-en-2-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione
MOLECULAR FORMULA: C14H17N3O2
MOLECULAR WEIGHT: 259.30368
SMILES: CC(=C)C(C)(C)N1C(=O)N(C(=O)N1)C2=CC=CC=C2
Structure:
CAS RN: 65370-56-1
CAS Name: 1-(2,3-dimethylbut-3-en-2-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione
OPENEYE Name: 4-phenyl-1-(1,1,2-trimethylallyl)-1,2,4-triazolidine-3,5-dione
IUPAC Name: 1-(2,3-dimethylbut-3-en-2-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SYSTEMATIC NAME: 1-(2,3-dimethylbut-3-en-2-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione
MOLECULAR FORMULA: C14H17N3O2
MOLECULAR WEIGHT: 259.30368
SMILES: CC(=C)C(C)(C)N1C(=O)N(C(=O)N1)C2=CC=CC=C2
Structure:
CAS RN: 26071-07-8
CAS Name: N,2-dihydroxy-3-methylbenzamide
OPENEYE Name: 2-hydroxy-3-methyl-benzenecarbohydroxamic acid
IUPAC Name: N,2-dihydroxy-3-methylbenzamide
SYSTEMATIC NAME: 3-methyl-N,2-bis(oxidanyl)benzamide
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: CC1=CC=CC(=C1O)C(=O)NO
Structure:
CAS RN: 331-86-2
CAS Name: 1-(1,3-dithian-5-yl)-3-(2-fluoroethyl)urea
OPENEYE Name: 1-(1,3-dithian-5-yl)-3-(2-fluoroethyl)urea
IUPAC Name: 1-(1,3-dithian-5-yl)-3-(2-fluoroethyl)urea
SYSTEMATIC NAME: 1-(1,3-dithian-5-yl)-3-(2-fluoranylethyl)urea
MOLECULAR FORMULA: C7H13FN2OS2
MOLECULAR WEIGHT: 224.319323
SMILES: C1C(CSCS1)NC(=O)NCCF
Structure:
CAS RN: 373-57-9
CAS Name: 2-(6-amino-2-fluoro-9-purinyl)-5-methyloxolane-3,4-diol
OPENEYE Name: 2-(6-amino-2-fluoro-purin-9-yl)-5-methyl-tetrahydrofuran-3,4-diol
IUPAC Name: 2-(6-amino-2-fluoropurin-9-yl)-5-methyloxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-azanyl-2-fluoranyl-purin-9-yl)-5-methyl-oxolane-3,4-diol
MOLECULAR FORMULA: C10H12FN5O3
MOLECULAR WEIGHT: 269.232383
SMILES: CC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)F)O)O
Structure:
CAS RN: 13908-44-6
CAS Name: 1-(6-phenanthridinylthio)-2-propanone
OPENEYE Name: 1-phenanthridin-6-ylsulfanylpropan-2-one
IUPAC Name: 1-phenanthridin-6-ylsulfanylpropan-2-one
SYSTEMATIC NAME: 1-phenanthridin-6-ylsulfanylpropan-2-one
MOLECULAR FORMULA: C16H13NOS
MOLECULAR WEIGHT: 267.34552
SMILES: CC(=O)CSC1=NC2=CC=CC=C2C3=CC=CC=C31
Structure:
CAS RN: 30057-64-8
CAS Name: 3-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-nitro-4-imidazolecarboxamide
OPENEYE Name: 3-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-nitro-imidazole-4-carboxamide
IUPAC Name: 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitroimidazole-4-carboxamide
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-nitro-imidazole-4-carboxamide
MOLECULAR FORMULA: C9H12N4O6
MOLECULAR WEIGHT: 272.21478
SMILES: C1C(C(OC1N2C=NC(=C2C(=O)N)[N+](=O)[O-])CO)O
Structure:
CAS RN: 66307-64-0
CAS Name: 1-[4-(3-methoxyphenyl)-1-piperazinyl]-3-phenyl-2-propanol
OPENEYE Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-propan-2-ol
IUPAC Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-2-ol
SYSTEMATIC NAME: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-propan-2-ol
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: COC1=CC=CC(=C1)N2CCN(CC2)CC(CC3=CC=CC=C3)O
Structure:
CAS RN: 82650-28-0
CAS Name: 1-(3-chlorophenyl)-1-cyclopropylethanol
OPENEYE Name: 1-(3-chlorophenyl)-1-cyclopropyl-ethanol
IUPAC Name: 1-(3-chlorophenyl)-1-cyclopropylethanol
SYSTEMATIC NAME: 1-(3-chlorophenyl)-1-cyclopropyl-ethanol
MOLECULAR FORMULA: C11H13ClO
MOLECULAR WEIGHT: 196.67332
SMILES: CC(C1CC1)(C2=CC(=CC=C2)Cl)O
Structure:
CAS RN: 2851-52-7
CAS Name: 1-(1-phenylethenyl)naphthalene
OPENEYE Name: 1-(1-phenylvinyl)naphthalene
IUPAC Name: 1-(1-phenylethenyl)naphthalene
SYSTEMATIC NAME: 1-(1-phenylethenyl)naphthalene
MOLECULAR FORMULA: C18H14
MOLECULAR WEIGHT: 230.30376
SMILES: C=C(C1=CC=CC=C1)C2=CC=CC3=CC=CC=C32
Structure:
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