CAS RN: 41971-48-6
CAS Name: 2-(4-morpholinylmethyl)-1-azabicyclo[2.2.2]octan-3-one
OPENEYE Name: 2-(morpholinomethyl)quinuclidin-3-one
IUPAC Name: 2-(morpholin-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one
SYSTEMATIC NAME: 2-(morpholin-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one
MOLECULAR FORMULA: C12H20N2O2
MOLECULAR WEIGHT: 224.2994
SMILES: C1CN2CCC1C(=O)C2CN3CCOCC3
Structure:
CAS RN: 531-99-7
CAS Name: 5-acetyl-2-methoxybenzaldehyde
OPENEYE Name: 5-acetyl-2-methoxy-benzaldehyde
IUPAC Name: 5-acetyl-2-methoxybenzaldehyde
SYSTEMATIC NAME: 5-ethanoyl-2-methoxy-benzaldehyde
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: CC(=O)C1=CC(=C(C=C1)OC)C=O
Structure:
CAS RN: 58115-31-4
CAS Name: 1,3-dimethyl-2-phenyl-1,3-diazinane
OPENEYE Name: 1,3-dimethyl-2-phenyl-hexahydropyrimidine
IUPAC Name: 1,3-dimethyl-2-phenyl-1,3-diazinane
SYSTEMATIC NAME: 1,3-dimethyl-2-phenyl-1,3-diazinane
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: CN1CCCN(C1C2=CC=CC=C2)C
Structure:
CAS RN: 26956-43-4
CAS Name: 5H-furo[3,2-c]pyridin-4-one
OPENEYE Name: 5H-furo[3,2-c]pyridin-4-one
IUPAC Name: 5H-furo[3,2-c]pyridin-4-one
SYSTEMATIC NAME: 5H-furo[3,2-c]pyridin-4-one
MOLECULAR FORMULA: C7H5NO2
MOLECULAR WEIGHT: 135.1201
SMILES: C1=CNC(=O)C2=C1OC=C2
Structure:
CAS RN: 40712-95-6
CAS Name: 2-cyano-6-methyl-2H-quinoline-1-carboxylic acid methyl ester
OPENEYE Name: methyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate
IUPAC Name: methyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate
SYSTEMATIC NAME: methyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate
MOLECULAR FORMULA: C13H12N2O2
MOLECULAR WEIGHT: 228.24658
SMILES: CC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)OC
Structure:
CAS RN: 40713-11-9
CAS Name: 2-cyano-6-methoxy-2H-quinoline-1-carboxylic acid methyl ester
OPENEYE Name: methyl 2-cyano-6-methoxy-2H-quinoline-1-carboxylate
IUPAC Name: methyl 2-cyano-6-methoxy-2H-quinoline-1-carboxylate
SYSTEMATIC NAME: methyl 2-cyano-6-methoxy-2H-quinoline-1-carboxylate
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: COC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)OC
Structure:
CAS RN: 18910-04-8
CAS Name: acetic acid [1-[(2-acetamido-1-oxopropyl)amino]-1-(2,2-dimethyl-6-oxo-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl)propan-2-yl] ester
OPENEYE Name: [2-(2-acetamidopropanoylamino)-2-(2,2-dimethyl-6-oxo-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl)-1-methyl-ethyl] acetate
IUPAC Name: [1-(2-acetamidopropanoylamino)-1-(2,2-dimethyl-6-oxo-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl)propan-2-yl] acetate
SYSTEMATIC NAME: [1-(2-acetamidopropanoylamino)-1-(2,2-dimethyl-6-oxidanylidene-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl)propan-2-yl] ethanoate
MOLECULAR FORMULA: C19H30N2O7
MOLECULAR WEIGHT: 398.4507
SMILES: CC(C(C1CC(=O)CC2C1OC(O2)(C)C)NC(=O)C(C)NC(=O)C)OC(=O)C
Structure:
CAS RN: 61367-05-3
CAS Name: 4-[[(2-chloroethylamino)-oxomethyl]amino]-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-(2-chloroethylcarbamoylamino)cyclohexanecarboxylic acid
IUPAC Name: 4-(2-chloroethylcarbamoylamino)cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-(2-chloroethylcarbamoylamino)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C10H17ClN2O3
MOLECULAR WEIGHT: 248.70658
SMILES: C1CC(CCC1C(=O)O)NC(=O)NCCCl
Structure:
CAS RN: 35923-99-0
CAS Name: 3-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2H-triazolo[4,5-d]pyrimidin-7-one
OPENEYE Name: 3-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one
IUPAC Name: 3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
MOLECULAR FORMULA: C9H11N5O4
MOLECULAR WEIGHT: 253.21474
SMILES: C1C(C(OC1N2C3=NC=NC(=O)C3=NN2)CO)O
Structure:
CAS RN: 37642-56-1
CAS Name: 5-amino-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-imidazolecarboxamide
OPENEYE Name: 5-amino-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4-carboxamide
IUPAC Name: 5-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]imidazole-4-carboxamide
MOLECULAR FORMULA: C9H14N4O4
MOLECULAR WEIGHT: 242.23186
SMILES: C1C(C(OC1N2C=NC(=C2N)C(=O)N)CO)O
Structure:
CAS RN: 92429-81-7
CAS Name: 6-nitro-1H-1,2,3-benzotriazin-4-one
OPENEYE Name: 6-nitro-1H-1,2,3-benzotriazin-4-one
IUPAC Name: 6-nitro-1H-1,2,3-benzotriazin-4-one
SYSTEMATIC NAME: 6-nitro-1H-1,2,3-benzotriazin-4-one
MOLECULAR FORMULA: C7H4N4O3
MOLECULAR WEIGHT: 192.13166
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N=NN2
Structure:
CAS RN: 1846-68-0
CAS Name: 2,2,4-trimethyl-3-phenyl-3-bicyclo[2.2.1]heptanol
OPENEYE Name: 1,3,3-trimethyl-2-phenyl-norbornan-2-ol
IUPAC Name: 2,2,4-trimethyl-3-phenylbicyclo[2.2.1]heptan-3-ol
SYSTEMATIC NAME: 2,2,4-trimethyl-3-phenyl-bicyclo[2.2.1]heptan-3-ol
MOLECULAR FORMULA: C16H22O
MOLECULAR WEIGHT: 230.34528
SMILES: CC1(C2CCC(C2)(C1(C3=CC=CC=C3)O)C)C
Structure:
CAS RN: 4779-31-1
CAS Name: 4-oxo-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butanoic acid
OPENEYE Name: 4-benzyloxy-3-(benzyloxycarbonylamino)-4-oxo-butanoic acid
IUPAC Name: 4-oxo-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butanoic acid
SYSTEMATIC NAME: 4-oxidanylidene-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butanoic acid
MOLECULAR FORMULA: C19H19NO6
MOLECULAR WEIGHT: 357.35726
SMILES: C1=CC=C(C=C1)COC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 86524-52-9
CAS Name: 1-[5-acetyl-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone
OPENEYE Name: 1-[5-acetyl-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone
IUPAC Name: 1-[5-acetyl-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone
SYSTEMATIC NAME: 1-[5-ethanoyl-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone
MOLECULAR FORMULA: C18H21NO3
MOLECULAR WEIGHT: 299.36424
SMILES: CC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=C(C=C2)OC)C(=O)C
Structure:
CAS RN: 32705-42-3
CAS Name: dicyclohexyl(8-quinolinyloxy)borane
OPENEYE Name: dicyclohexyl(8-quinolyloxy)borane
IUPAC Name: dicyclohexyl(quinolin-8-yloxy)borane
SYSTEMATIC NAME: dicyclohexyl(quinolin-8-yloxy)borane
MOLECULAR FORMULA: C21H28BNO
MOLECULAR WEIGHT: 321.26412
SMILES: B(C1CCCCC1)(C2CCCCC2)OC3=CC=CC4=C3N=CC=C4
Structure:
CAS RN: 94613-20-4
CAS Name: 1-methyl-3-pyridin-4-ylurea
OPENEYE Name: 1-methyl-3-(4-pyridyl)urea
IUPAC Name: 1-methyl-3-pyridin-4-ylurea
SYSTEMATIC NAME: 1-methyl-3-pyridin-4-yl-urea
MOLECULAR FORMULA: C7H9N3O
MOLECULAR WEIGHT: 151.16586
SMILES: CNC(=O)NC1=CC=NC=C1
Structure:
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