CAS RN: 6320-45-2
CAS Name: (4-chlorophenyl)methyl-trimethylammonium chloride
OPENEYE Name: (4-chlorophenyl)methyl-trimethyl-ammonium chloride
IUPAC Name: (4-chlorophenyl)methyl-trimethylazanium chloride
SYSTEMATIC NAME: (4-chlorophenyl)methyl-trimethyl-azanium chloride
MOLECULAR FORMULA: C10H15Cl2N
MOLECULAR WEIGHT: 220.1388
SMILES: C[N+](C)(C)CC1=CC=C(C=C1)Cl.[Cl-]
Structure:
CAS RN: 198401-76-2
CAS Name: [4-(trifluoromethyl)-3-pyridinyl]methanol
OPENEYE Name: [4-(trifluoromethyl)-3-pyridyl]methanol
IUPAC Name: [4-(trifluoromethyl)pyridin-3-yl]methanol
SYSTEMATIC NAME: [4-(trifluoromethyl)pyridin-3-yl]methanol
MOLECULAR FORMULA: C7H6F3NO
MOLECULAR WEIGHT: 177.12385
SMILES: C1=CN=CC(=C1C(F)(F)F)CO
Structure:
CAS RN: 188669-42-3
CAS Name: 2-(2-cyanobutan-2-ylazo)-2-methylpentanenitrile
OPENEYE Name: 2-(1-cyano-1-methyl-propyl)azo-2-methyl-pentanenitrile
IUPAC Name: 2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile
SYSTEMATIC NAME: 2-(2-cyanobutan-2-yldiazenyl)-2-methyl-pentanenitrile
MOLECULAR FORMULA: C11H18N4
MOLECULAR WEIGHT: 206.28742
SMILES: CCCC(C)(C#N)N=NC(C)(CC)C#N
Structure:
CAS RN: 102996-66-7
CAS Name: N-(2-benzoyl-4-nitrophenyl)-2-(4-morpholinyl)acetamide
OPENEYE Name: N-(2-benzoyl-4-nitro-phenyl)-2-morpholino-acetamide
IUPAC Name: N-(2-benzoyl-4-nitrophenyl)-2-morpholin-4-ylacetamide
SYSTEMATIC NAME: 2-morpholin-4-yl-N-[4-nitro-2-(phenylcarbonyl)phenyl]ethanamide
MOLECULAR FORMULA: C19H19N3O5
MOLECULAR WEIGHT: 369.37126
SMILES: C1COCCN1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3
Structure:
CAS RN: 937678-69-8
CAS Name: 5-bromo-2-(2-methylpropylamino)benzoic acid methyl ester
OPENEYE Name: methyl 5-bromo-2-(isobutylamino)benzoate
IUPAC Name: methyl 5-bromo-2-(2-methylpropylamino)benzoate
SYSTEMATIC NAME: methyl 5-bromanyl-2-(2-methylpropylamino)benzoate
MOLECULAR FORMULA: C12H16BrNO2
MOLECULAR WEIGHT: 286.16494
SMILES: CC(C)CNC1=C(C=C(C=C1)Br)C(=O)OC
Structure:
CAS RN: 937694-12-7
CAS Name: 5-bromo-2-(propan-2-ylamino)benzoic acid methyl ester
OPENEYE Name: methyl 5-bromo-2-(isopropylamino)benzoate
IUPAC Name: methyl 5-bromo-2-(propan-2-ylamino)benzoate
SYSTEMATIC NAME: methyl 5-bromanyl-2-(propan-2-ylamino)benzoate
MOLECULAR FORMULA: C11H14BrNO2
MOLECULAR WEIGHT: 272.13836
SMILES: CC(C)NC1=C(C=C(C=C1)Br)C(=O)OC
Structure:
CAS RN: 153074-91-0
CAS Name: 4-[(Z)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]benzoic acid
OPENEYE Name: 4-[(Z)-N'-tert-butoxycarbonylcarbamimidoyl]benzoic acid
IUPAC Name: 4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoic acid
SYSTEMATIC NAME: 4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoic acid
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: CC(C)(C)OC(=O)/N=C(/C1=CC=C(C=C1)C(=O)O)\N
Structure:
CAS RN: 475489-37-3
CAS Name: 5-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
OPENEYE Name: 5-(3-benzyloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name: 5-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: 5-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C19H16N4O
MOLECULAR WEIGHT: 316.35654
SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=CNC4=C3C(=NC=N4)N
Structure:
CAS RN: 55-97-0
CAS Name: trimethyl-[6-(trimethylammonio)hexyl]ammonium dibromide hydrate
OPENEYE Name: trimethyl-[6-(trimethylammonio)hexyl]ammonium dibromide hydrate
IUPAC Name: trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide hydrate
SYSTEMATIC NAME: trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide hydrate
MOLECULAR FORMULA: C12H32Br2N2O
MOLECULAR WEIGHT: 380.20328
SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C.O.[Br-].[Br-]
Structure:
CAS RN: 1099597-93-9
CAS Name: 1-chloro-2-fluoro-3-(trifluoromethyl)benzene
OPENEYE Name: 1-chloro-2-fluoro-3-(trifluoromethyl)benzene
IUPAC Name: 1-chloro-2-fluoro-3-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-2-fluoranyl-3-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H3ClF4
MOLECULAR WEIGHT: 198.545333
SMILES: C1=CC(=C(C(=C1)Cl)F)C(F)(F)F
Structure:
CAS RN: 209256-42-8
CAS Name: 2,3-dihydrobenzofuran-4-carboxaldehyde
OPENEYE Name: 2,3-dihydrobenzofuran-4-carbaldehyde
IUPAC Name: 2,3-dihydro-1-benzofuran-4-carbaldehyde
SYSTEMATIC NAME: 2,3-dihydro-1-benzofuran-4-carbaldehyde
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: C1COC2=CC=CC(=C21)C=O
Structure:
CAS RN: 209256-40-6
CAS Name: 2,3-dihydrobenzofuran-4-carboxylic acid
OPENEYE Name: 2,3-dihydrobenzofuran-4-carboxylic acid
IUPAC Name: 2,3-dihydro-1-benzofuran-4-carboxylic acid
SYSTEMATIC NAME: 2,3-dihydro-1-benzofuran-4-carboxylic acid
MOLECULAR FORMULA: C9H8O3
MOLECULAR WEIGHT: 164.15802
SMILES: C1COC2=CC=CC(=C21)C(=O)O
Structure:
CAS RN: 209256-41-7
CAS Name: 2,3-dihydrobenzofuran-4-ylmethanol
OPENEYE Name: 2,3-dihydrobenzofuran-4-ylmethanol
IUPAC Name: 2,3-dihydro-1-benzofuran-4-ylmethanol
SYSTEMATIC NAME: 2,3-dihydro-1-benzofuran-4-ylmethanol
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: C1COC2=CC=CC(=C21)CO
Structure:
CAS RN: 191602-76-3
CAS Name: 5-(3-bromo-4-methoxyphenyl)-2H-tetrazole
OPENEYE Name: 5-(3-bromo-4-methoxy-phenyl)-2H-tetrazole
IUPAC Name: 5-(3-bromo-4-methoxyphenyl)-2H-tetrazole
SYSTEMATIC NAME: 5-(3-bromanyl-4-methoxy-phenyl)-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C8H7BrN4O
MOLECULAR WEIGHT: 255.07138
SMILES: COC1=C(C=C(C=C1)C2=NNN=N2)Br
Structure:
CAS RN: 54662-30-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H36O7
MOLECULAR WEIGHT: 508.60264
SMILES: CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)COC(=O)C)O)C)O)OC(=O)CC5=CC=CC=C5
Structure:
CAS RN: 122751-79-5
CAS Name: 2-hydroxytriacontanoic acid
OPENEYE Name: 2-hydroxytriacontanoic acid
IUPAC Name: 2-hydroxytriacontanoic acid
SYSTEMATIC NAME: 2-oxidanyltriacontanoic acid
MOLECULAR FORMULA: C30H60O3
MOLECULAR WEIGHT: 468.7956
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
Structure:
CAS RN: 58714-85-5
CAS Name: cyclopentylmethanamine hydrochloride
OPENEYE Name: cyclopentylmethanamine hydrochloride
IUPAC Name: cyclopentylmethanamine hydrochloride
SYSTEMATIC NAME: cyclopentylmethanamine hydrochloride
MOLECULAR FORMULA: C6H14ClN
MOLECULAR WEIGHT: 135.63506
SMILES: C1CCC(C1)CN.Cl
Structure:
CAS RN: 7462-86-4
CAS Name: 4-piperidinecarboxylic acid methyl ester hydrochloride
OPENEYE Name: methyl piperidine-4-carboxylate hydrochloride
IUPAC Name: methyl piperidine-4-carboxylate hydrochloride
SYSTEMATIC NAME: methyl piperidine-4-carboxylate hydrochloride
MOLECULAR FORMULA: C7H14ClNO2
MOLECULAR WEIGHT: 179.64456
SMILES: COC(=O)C1CCNCC1.Cl
Structure:
CAS RN: 193902-99-7
CAS Name: 4-(3,4-diaminophenyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(3,4-diaminophenyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(3,4-diaminophenyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[3,4-bis(azanyl)phenyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C15H24N4O2
MOLECULAR WEIGHT: 292.37666
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=C(C=C2)N)N
Structure:
CAS RN: 168823-65-2
CAS Name: 2-(3-bromo-4-methoxyphenyl)pyridine
OPENEYE Name: 2-(3-bromo-4-methoxy-phenyl)pyridine
IUPAC Name: 2-(3-bromo-4-methoxyphenyl)pyridine
SYSTEMATIC NAME: 2-(3-bromanyl-4-methoxy-phenyl)pyridine
MOLECULAR FORMULA: C12H10BrNO
MOLECULAR WEIGHT: 264.1179
SMILES: COC1=C(C=C(C=C1)C2=CC=CC=N2)Br
Structure:
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