CAS RN: 6853-92-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H23ClN2O2
MOLECULAR WEIGHT: 298.80832
SMILES: C1CCN2C(C1)C3CC(C2=O)C4CCC(=O)CN4C3.Cl
Structure:
CAS RN: 6849-01-0
CAS Name: propanoic acid [4-phenyl-1-(3-phenylpropyl)-4-piperidinyl] ester hydrochloride
OPENEYE Name: [4-phenyl-1-(3-phenylpropyl)-4-piperidyl] propanoate hydrochloride
IUPAC Name: [4-phenyl-1-(3-phenylpropyl)piperidin-4-yl] propanoate hydrochloride
SYSTEMATIC NAME: [4-phenyl-1-(3-phenylpropyl)piperidin-4-yl] propanoate hydrochloride
MOLECULAR FORMULA: C23H30ClNO2
MOLECULAR WEIGHT: 387.9428
SMILES: CCC(=O)OC1(CCN(CC1)CCCC2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 6843-90-9
CAS Name: 3,5-dibromo-2,6-dihydroxy-4-methylbenzoic acid
OPENEYE Name: 3,5-dibromo-2,6-dihydroxy-4-methyl-benzoic acid
IUPAC Name: 3,5-dibromo-2,6-dihydroxy-4-methylbenzoic acid
SYSTEMATIC NAME: 3,5-bis(bromanyl)-4-methyl-2,6-bis(oxidanyl)benzoic acid
MOLECULAR FORMULA: C8H6Br2O4
MOLECULAR WEIGHT: 325.93884
SMILES: CC1=C(C(=C(C(=C1Br)O)C(=O)O)O)Br
Structure:
CAS RN: 6843-39-6
CAS Name: 1-carbamoyl-1-methyl-3-phenylurea
OPENEYE Name: 1-carbamoyl-1-methyl-3-phenyl-urea
IUPAC Name: 1-carbamoyl-1-methyl-3-phenylurea
SYSTEMATIC NAME: 1-aminocarbonyl-1-methyl-3-phenyl-urea
MOLECULAR FORMULA: C9H11N3O2
MOLECULAR WEIGHT: 193.20254
SMILES: CN(C(=O)N)C(=O)NC1=CC=CC=C1
Structure:
CAS RN: 6842-34-8
CAS Name: N-methylcarbamic acid [2-(1,3-oxathiolan-2-yl)phenyl] ester
OPENEYE Name: [2-(1,3-oxathiolan-2-yl)phenyl] N-methylcarbamate
IUPAC Name: [2-(1,3-oxathiolan-2-yl)phenyl] N-methylcarbamate
SYSTEMATIC NAME: [2-(1,3-oxathiolan-2-yl)phenyl] N-methylcarbamate
MOLECULAR FORMULA: C11H13NO3S
MOLECULAR WEIGHT: 239.29082
SMILES: CNC(=O)OC1=CC=CC=C1C2OCCS2
Structure:
CAS RN: 6836-97-1
CAS Name: 3-phenyl-2-pyrrolidinone
OPENEYE Name: 3-phenylpyrrolidin-2-one
IUPAC Name: 3-phenylpyrrolidin-2-one
SYSTEMATIC NAME: 3-phenylpyrrolidin-2-one
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: C1CNC(=O)C1C2=CC=CC=C2
Structure:
CAS RN: 6836-10-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H39NO7
MOLECULAR WEIGHT: 465.57966
SMILES: CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4(C6C7OC)O)OC)OCO5)O)OC)C
Structure:
CAS RN: 6831-72-7
CAS Name: copper pyridine dichloride
OPENEYE Name: copper pyridine dichloride
IUPAC Name: copper pyridine dichloride
SYSTEMATIC NAME: copper pyridine dichloride
MOLECULAR FORMULA: C10H10Cl2CuN2
MOLECULAR WEIGHT: 292.6518
SMILES: C1=CC=NC=C1.C1=CC=NC=C1.[Cl-].[Cl-].[Cu+2]
Structure:
CAS RN: 6826-90-0
CAS Name: N,N-diethyl-2-[2-(1-naphthalenyl)pent-4-enoxy]ethanamine; phosphoric acid
OPENEYE Name: N,N-diethyl-2-[2-(1-naphthyl)pent-4-enoxy]ethanamine; phosphoric acid
IUPAC Name: N,N-diethyl-2-(2-naphthalen-1-ylpent-4-enoxy)ethanamine; phosphoric acid
SYSTEMATIC NAME: N,N-diethyl-2-(2-naphthalen-1-ylpent-4-enoxy)ethanamine; phosphoric acid
MOLECULAR FORMULA: C21H32NO5P
MOLECULAR WEIGHT: 409.456241
SMILES: CCN(CC)CCOCC(CC=C)C1=CC=CC2=CC=CC=C21.OP(=O)(O)O
Structure:
CAS RN: 6820-95-7
CAS Name: 2-[3-(4-morpholinyl)propyl]isoindole-1,3-dione
OPENEYE Name: 2-(3-morpholinopropyl)isoindoline-1,3-dione
IUPAC Name: 2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(3-morpholin-4-ylpropyl)isoindole-1,3-dione
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: C1COCCN1CCCN2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 6813-59-8
CAS Name: (3S,6aR,6bS,8aS,11R,12aS,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
OPENEYE Name: (3S,6aR,6bS,8aS,11R,12aS,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
IUPAC Name: (3S,6aR,6bS,8aS,11R,12aS,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
SYSTEMATIC NAME: (3S,6aR,6bS,8aS,11R,12aS,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: C[C@]12CC[C@@](C[C@@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)CO
Structure:
CAS RN: 18383-44-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H25ClN2O2
MOLECULAR WEIGHT: 300.8242
SMILES: C1CCN2C(C1)C3CC(C2O)C4CCC(=O)CN4C3.Cl
Structure:
CAS RN: 6810-18-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H25ClN2O2
MOLECULAR WEIGHT: 300.8242
SMILES: C1CCN2C(C1)C3CC(C2O)C4CCC(=O)CN4C3.Cl
Structure:
CAS RN: 6810-17-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H25ClN2O2
MOLECULAR WEIGHT: 300.8242
SMILES: C1CC[N@+]2(C[C@H]3C[C@@H]([C@@H]2C1)CN4[C@H]3CCCC4=O)[O-].Cl
Structure:
CAS RN: 6804-53-1
CAS Name: 4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
OPENEYE Name: 4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
IUPAC Name: 4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
SYSTEMATIC NAME: 4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
MOLECULAR FORMULA: C10H8F3N3
MOLECULAR WEIGHT: 227.18583
SMILES: C1=CC(=CC=C1C2=C(NN=C2)N)C(F)(F)F
Structure:
CAS RN: 6803-43-6
CAS Name: thiocyanic acid (4-chloro-2-nitrophenyl) ester
OPENEYE Name: (4-chloro-2-nitro-phenyl) thiocyanate
IUPAC Name: (4-chloro-2-nitrophenyl) thiocyanate
SYSTEMATIC NAME: (4-chloranyl-2-nitro-phenyl) thiocyanate
MOLECULAR FORMULA: C7H3ClN2O2S
MOLECULAR WEIGHT: 214.62892
SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])SC#N
Structure:
CAS RN: 6803-36-7
CAS Name: thiocyanic acid (4-chloro-2-nitrophenyl)methyl ester
OPENEYE Name: (4-chloro-2-nitro-phenyl)methyl thiocyanate
IUPAC Name: (4-chloro-2-nitrophenyl)methyl thiocyanate
SYSTEMATIC NAME: (4-chloranyl-2-nitro-phenyl)methyl thiocyanate
MOLECULAR FORMULA: C8H5ClN2O2S
MOLECULAR WEIGHT: 228.6555
SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])CSC#N
Structure:
CAS RN: 6800-19-7
CAS Name: 4-(4-fluorophenyl)-1H-pyrazol-5-amine hydrochloride
OPENEYE Name: 4-(4-fluorophenyl)-1H-pyrazol-5-amine hydrochloride
IUPAC Name: 4-(4-fluorophenyl)-1H-pyrazol-5-amine hydrochloride
SYSTEMATIC NAME: 4-(4-fluorophenyl)-1H-pyrazol-5-amine hydrochloride
MOLECULAR FORMULA: C9H9ClFN3
MOLECULAR WEIGHT: 213.639263
SMILES: C1=CC(=CC=C1C2=C(NN=C2)N)F.Cl
Structure:
CAS RN: 6785-71-3
CAS Name: acetic acid [(8R,9S,10R,13S,14S)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S)-17-acetoxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(8R,9S,10R,13S,14S)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: CC(=O)OC1CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CCC4(C#C)OC(=O)C)C
Structure:
CAS RN: 97-57-4
CAS Name: 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(2-methylphenoxy)-2-propanol
OPENEYE Name: 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(2-methylphenoxy)propan-2-ol
IUPAC Name: 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(2-methylphenoxy)propan-2-ol
SYSTEMATIC NAME: 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(2-methylphenoxy)propan-2-ol
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CC1=CC=CC=C1OCC(CN2CCC=CC2)O
Structure:
CAS RN: 6775-25-3
CAS Name: 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(2-methylphenoxy)-2-propanol hydrochloride
OPENEYE Name: 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(2-methylphenoxy)propan-2-ol hydrochloride
IUPAC Name: 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(2-methylphenoxy)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(3,6-dihydro-2H-pyridin-1-yl)-3-(2-methylphenoxy)propan-2-ol hydrochloride
MOLECULAR FORMULA: C15H22ClNO2
MOLECULAR WEIGHT: 283.79368
SMILES: CC1=CC=CC=C1OCC(CN2CCC=CC2)O.Cl
Structure:
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