CAS RN: 4208-34-8
CAS Name: 3,7-dimethyl-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
OPENEYE Name: 3,7-dimethyl-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
IUPAC Name: 3,7-dimethyl-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SYSTEMATIC NAME: 3,7-dimethyl-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
MOLECULAR FORMULA: C21H24N2O
MOLECULAR WEIGHT: 320.42806
SMILES: CN1CC2(CN(CC(C1)(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4
Structure:
CAS RN: 34551-62-7
CAS Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone
OPENEYE Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone
IUPAC Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone
SYSTEMATIC NAME: 1-[5-ethanoyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone
MOLECULAR FORMULA: C17H18N2O4
MOLECULAR WEIGHT: 314.33582
SMILES: CC1=C(C(C(=C(N1)C)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C
Structure:
CAS RN: 34771-45-4
CAS Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone
OPENEYE Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone
IUPAC Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone
SYSTEMATIC NAME: 1-[5-ethanoyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]ethanone
MOLECULAR FORMULA: C17H18N2O4
MOLECULAR WEIGHT: 314.33582
SMILES: CC1=C(C(C(=C(N1)C)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C
Structure:
CAS RN: 13391-35-0
CAS Name: 1-methoxy-4-prop-2-enoxybenzene
OPENEYE Name: 1-allyloxy-4-methoxy-benzene
IUPAC Name: 1-methoxy-4-prop-2-enoxybenzene
SYSTEMATIC NAME: 1-methoxy-4-prop-2-enoxy-benzene
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: COC1=CC=C(C=C1)OCC=C
Structure:
CAS RN: 6543-29-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: C1CC2CC1C3=C2CC(CC3)O
Structure:
CAS RN: 31517-37-0
CAS Name: bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
IUPAC Name: dimethyl bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
SYSTEMATIC NAME: dimethyl bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: COC(=O)C1C2CCC(C1C(=O)OC)C=C2
Structure:
CAS RN: 4545-84-0
CAS Name: bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
IUPAC Name: dimethyl bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
SYSTEMATIC NAME: dimethyl bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: COC(=O)C1C2CCC(C1C(=O)OC)C=C2
Structure:
CAS RN: 88201-29-0
CAS Name: 1,4-dimethoxy-2-methylcyclohexa-1,4-diene
OPENEYE Name: 1,4-dimethoxy-2-methyl-cyclohexa-1,4-diene
IUPAC Name: 1,4-dimethoxy-2-methylcyclohexa-1,4-diene
SYSTEMATIC NAME: 1,4-dimethoxy-2-methyl-cyclohexa-1,4-diene
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: CC1=C(CC=C(C1)OC)OC
Structure:
CAS RN: 65942-08-7
CAS Name: [3-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
OPENEYE Name: [3-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
IUPAC Name: [3-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
SYSTEMATIC NAME: [3-(hydroxymethyl)-2-bicyclo[2.2.2]octanyl]methanol
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: C1CC2CCC1C(C2CO)CO
Structure:
CAS RN: 24727-45-5
CAS Name: 2-(2-formyl-4-methoxyphenoxy)acetic acid
OPENEYE Name: 2-(2-formyl-4-methoxy-phenoxy)acetic acid
IUPAC Name: 2-(2-formyl-4-methoxyphenoxy)acetic acid
SYSTEMATIC NAME: 2-(2-methanoyl-4-methoxy-phenoxy)ethanoic acid
MOLECULAR FORMULA: C10H10O5
MOLECULAR WEIGHT: 210.1834
SMILES: COC1=CC(=C(C=C1)OCC(=O)O)C=O
Structure:
CAS RN: 10242-08-7
CAS Name: 5-methoxy-2-benzofurancarboxylic acid
OPENEYE Name: 5-methoxybenzofuran-2-carboxylic acid
IUPAC Name: 5-methoxy-1-benzofuran-2-carboxylic acid
SYSTEMATIC NAME: 5-methoxy-1-benzofuran-2-carboxylic acid
MOLECULAR FORMULA: C10H8O4
MOLECULAR WEIGHT: 192.16812
SMILES: COC1=CC2=C(C=C1)OC(=C2)C(=O)O
Structure:
CAS RN: 45849-05-6
CAS Name: [3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol
OPENEYE Name: [3-(hydroxymethyl)norbornan-2-yl]methanol
IUPAC Name: [3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol
SYSTEMATIC NAME: [3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: C1CC2CC1C(C2CO)CO
Structure:
CAS RN: 35844-93-0
CAS Name: 1,3-benzodioxol-5-yl(1H-pyrrol-2-yl)methanone
OPENEYE Name: 1,3-benzodioxol-5-yl(1H-pyrrol-2-yl)methanone
IUPAC Name: 1,3-benzodioxol-5-yl(1H-pyrrol-2-yl)methanone
SYSTEMATIC NAME: 1,3-benzodioxol-5-yl(1H-pyrrol-2-yl)methanone
MOLECULAR FORMULA: C12H9NO3
MOLECULAR WEIGHT: 215.20476
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)C3=CC=CN3
Structure:
CAS RN: 3198-04-7
CAS Name: 1,4-dimethyl-2-pyridinimine
OPENEYE Name: 1,4-dimethylpyridin-2-imine
IUPAC Name: 1,4-dimethylpyridin-2-imine
SYSTEMATIC NAME: 1,4-dimethylpyridin-2-imine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC1=CC(=N)N(C=C1)C
Structure:
CAS RN: 24007-03-2
CAS Name: N-[2-[2-(2-pyrimidinylamino)ethyldisulfanyl]ethyl]-2-pyrimidinamine
OPENEYE Name: N-[2-[2-(pyrimidin-2-ylamino)ethyldisulfanyl]ethyl]pyrimidin-2-amine
IUPAC Name: N-[2-[2-(pyrimidin-2-ylamino)ethyldisulfanyl]ethyl]pyrimidin-2-amine
SYSTEMATIC NAME: N-[2-[2-(pyrimidin-2-ylamino)ethyldisulfanyl]ethyl]pyrimidin-2-amine
MOLECULAR FORMULA: C12H16N6S2
MOLECULAR WEIGHT: 308.42564
SMILES: C1=CN=C(N=C1)NCCSSCCNC2=NC=CC=N2
Structure:
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