CAS RN: 83277-30-9
CAS Name: 5-(hydroxymethyl)-3-propan-2-yl-2-oxazolidinone
OPENEYE Name: 5-(hydroxymethyl)-3-isopropyl-oxazolidin-2-one
IUPAC Name: 5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C7H13NO3
MOLECULAR WEIGHT: 159.18302
SMILES: CC(C)N1CC(OC1=O)CO
Structure:
CAS RN: 66896-61-5
CAS Name: N-(1-phenylethyl)-2-propen-1-amine
OPENEYE Name: N-(1-phenylethyl)prop-2-en-1-amine
IUPAC Name: N-(1-phenylethyl)prop-2-en-1-amine
SYSTEMATIC NAME: N-(1-phenylethyl)prop-2-en-1-amine
MOLECULAR FORMULA: C11H15N
MOLECULAR WEIGHT: 161.2435
SMILES: CC(C1=CC=CC=C1)NCC=C
Structure:
CAS RN: 54127-58-1
CAS Name: 3-[(phenylmethyl)amino]propane-1,2-diol
OPENEYE Name: 3-(benzylamino)propane-1,2-diol
IUPAC Name: 3-(benzylamino)propane-1,2-diol
SYSTEMATIC NAME: 3-[(phenylmethyl)amino]propane-1,2-diol
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: C1=CC=C(C=C1)CNCC(CO)O
Structure:
CAS RN: 78752-11-1
CAS Name: 1-(dimethylamino)-3-prop-2-enoxy-2-propanol
OPENEYE Name: 1-allyloxy-3-(dimethylamino)propan-2-ol
IUPAC Name: 1-(dimethylamino)-3-prop-2-enoxypropan-2-ol
SYSTEMATIC NAME: 1-(dimethylamino)-3-prop-2-enoxy-propan-2-ol
MOLECULAR FORMULA: C8H17NO2
MOLECULAR WEIGHT: 159.22608
SMILES: CN(C)CC(COCC=C)O
Structure:
CAS RN: 62618-09-1
CAS Name: 1-amino-3-(1-naphthalenyloxy)-2-propanol hydrochloride
OPENEYE Name: 1-amino-3-(1-naphthyloxy)propan-2-ol hydrochloride
IUPAC Name: 1-amino-3-naphthalen-1-yloxypropan-2-ol hydrochloride
SYSTEMATIC NAME: 1-azanyl-3-naphthalen-1-yloxy-propan-2-ol hydrochloride
MOLECULAR FORMULA: C13H16ClNO2
MOLECULAR WEIGHT: 253.72464
SMILES: C1=CC=C2C(=C1)C=CC=C2OCC(CN)O.Cl
Structure:
CAS RN: 7699-19-6
CAS Name: 6-methoxy-1,3-dihydroindol-2-one
OPENEYE Name: 6-methoxyindolin-2-one
IUPAC Name: 6-methoxy-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 6-methoxy-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: COC1=CC2=C(CC(=O)N2)C=C1
Structure:
CAS RN: 13529-17-4
CAS Name: 5-formyl-2-furancarboxylic acid
OPENEYE Name: 5-formylfuran-2-carboxylic acid
IUPAC Name: 5-formylfuran-2-carboxylic acid
SYSTEMATIC NAME: 5-methanoylfuran-2-carboxylic acid
MOLECULAR FORMULA: C6H4O4
MOLECULAR WEIGHT: 140.09356
SMILES: C1=C(OC(=C1)C(=O)O)C=O
Structure:
CAS RN: 216394-05-7
CAS Name: 5-bromo-6-chloro-3-pyridinesulfonyl chloride
OPENEYE Name: 5-bromo-6-chloro-pyridine-3-sulfonyl chloride
IUPAC Name: 5-bromo-6-chloropyridine-3-sulfonyl chloride
SYSTEMATIC NAME: 5-bromanyl-6-chloranyl-pyridine-3-sulfonyl chloride
MOLECULAR FORMULA: C5H2BrCl2NO2S
MOLECULAR WEIGHT: 290.94988
SMILES: C1=C(C=NC(=C1Br)Cl)S(=O)(=O)Cl
Structure:
CAS RN: 89840-72-2
CAS Name: N-butyl-3-nitrobenzenesulfonamide
OPENEYE Name: N-butyl-3-nitro-benzenesulfonamide
IUPAC Name: N-butyl-3-nitrobenzenesulfonamide
SYSTEMATIC NAME: N-butyl-3-nitro-benzenesulfonamide
MOLECULAR FORMULA: C10H14N2O4S
MOLECULAR WEIGHT: 258.29416
SMILES: CCCCNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]
Structure:
CAS RN: 90109-64-1
CAS Name: 3-bromo-4,5-diethoxybenzaldehyde
OPENEYE Name: 3-bromo-4,5-diethoxy-benzaldehyde
IUPAC Name: 3-bromo-4,5-diethoxybenzaldehyde
SYSTEMATIC NAME: 3-bromanyl-4,5-diethoxy-benzaldehyde
MOLECULAR FORMULA: C11H13BrO3
MOLECULAR WEIGHT: 273.12312
SMILES: CCOC1=C(C(=CC(=C1)C=O)Br)OCC
Structure:
CAS RN: 64473-40-1
CAS Name: 5-(chloromethyl)-1-phenyltetrazole
OPENEYE Name: 5-(chloromethyl)-1-phenyl-tetrazole
IUPAC Name: 5-(chloromethyl)-1-phenyltetrazole
SYSTEMATIC NAME: 5-(chloromethyl)-1-phenyl-1,2,3,4-tetrazole
MOLECULAR FORMULA: C8H7ClN4
MOLECULAR WEIGHT: 194.62098
SMILES: C1=CC=C(C=C1)N2C(=NN=N2)CCl
Structure:
CAS RN: 493-50-5
CAS Name: 1-methyl-3,4-dihydro-2H-quinoline-6-carboxaldehyde
OPENEYE Name: 1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
IUPAC Name: 1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
SYSTEMATIC NAME: 1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CN1CCCC2=C1C=CC(=C2)C=O
Structure:
CAS RN: 6684-39-5
CAS Name: 6-chloro-3-pyridinesulfonyl chloride
OPENEYE Name: 6-chloropyridine-3-sulfonyl chloride
IUPAC Name: 6-chloropyridine-3-sulfonyl chloride
SYSTEMATIC NAME: 6-chloranylpyridine-3-sulfonyl chloride
MOLECULAR FORMULA: C5H3Cl2NO2S
MOLECULAR WEIGHT: 212.05382
SMILES: C1=CC(=NC=C1S(=O)(=O)Cl)Cl
Structure:
CAS RN: 84359-15-9
CAS Name: 3-pyridinylmethanamine hydrochloride
OPENEYE Name: 3-pyridylmethanamine hydrochloride
IUPAC Name: pyridin-3-ylmethanamine hydrochloride
SYSTEMATIC NAME: pyridin-3-ylmethanamine hydrochloride
MOLECULAR FORMULA: C6H9ClN2
MOLECULAR WEIGHT: 144.60206
SMILES: C1=CC(=CN=C1)CN.Cl
Structure:
CAS RN: 5154-59-6
CAS Name: 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate
IUPAC Name: ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate
SYSTEMATIC NAME: ethyl 6-azanyl-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C16H16N2O4
MOLECULAR WEIGHT: 300.30924
SMILES: CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)O)C#N)N)C
Structure:
CAS RN: 4158-20-7
CAS Name: 2-(2-ethylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
OPENEYE Name: 2-(2-ethylphenoxy)-N-(4-methyl-2-nitro-phenyl)acetamide
IUPAC Name: 2-(2-ethylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
SYSTEMATIC NAME: 2-(2-ethylphenoxy)-N-(4-methyl-2-nitro-phenyl)ethanamide
MOLECULAR FORMULA: C17H18N2O4
MOLECULAR WEIGHT: 314.33582
SMILES: CCC1=CC=CC=C1OCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]
Structure:
CAS RN: 76981-93-6
CAS Name: 6-methyl-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-methyl-2-[(2-morpholinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 6-methyl-2-(2-morpholin-4-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C18H26N2O4S
MOLECULAR WEIGHT: 366.47504
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3CCOCC3
Structure:
CAS RN: 6124-88-5
CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
OPENEYE Name: 2-[(3,5-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
IUPAC Name: 2-[(3,5-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 2-[(3,5-dimethoxyphenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C19H22N2O4S
MOLECULAR WEIGHT: 374.45398
SMILES: CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC(=C3)OC)OC
Structure:
CAS RN: 180272-43-9
CAS Name: 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
OPENEYE Name: 1-(4-pyridyl)-1,2,3,4-tetrahydroisoquinoline
IUPAC Name: 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
SYSTEMATIC NAME: 1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
MOLECULAR FORMULA: C14H14N2
MOLECULAR WEIGHT: 210.27436
SMILES: C1CNC(C2=CC=CC=C21)C3=CC=NC=C3
Structure:
CAS RN: 75651-09-1
CAS Name: N-(2-methylphenyl)-9-acridinamine hydrochloride
OPENEYE Name: N-(o-tolyl)acridin-9-amine hydrochloride
IUPAC Name: N-(2-methylphenyl)acridin-9-amine hydrochloride
SYSTEMATIC NAME: N-(2-methylphenyl)acridin-9-amine hydrochloride
MOLECULAR FORMULA: C20H17ClN2
MOLECULAR WEIGHT: 320.81538
SMILES: CC1=CC=CC=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl
Structure:
CAS RN: 5418-73-5
CAS Name: 3-methyl-2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium iodide
OPENEYE Name: 3-methyl-2-[2-(3-nitrophenyl)vinyl]-1,3-benzothiazol-3-ium iodide
IUPAC Name: 3-methyl-2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium iodide
SYSTEMATIC NAME: 3-methyl-2-[2-(3-nitrophenyl)ethenyl]-1,3-benzothiazol-3-ium iodide
MOLECULAR FORMULA: C16H13IN2O2S
MOLECULAR WEIGHT: 424.25609
SMILES: C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC(=CC=C3)[N+](=O)[O-].[I-]
Structure:
CAS RN: 959-81-9
CAS Name: N,N-dimethyl-4-[2-(1-methyl-4-pyridin-1-iumyl)ethenyl]aniline iodide
OPENEYE Name: N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)vinyl]aniline iodide
IUPAC Name: N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide
SYSTEMATIC NAME: N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide
MOLECULAR FORMULA: C16H19IN2
MOLECULAR WEIGHT: 366.23993
SMILES: C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C.[I-]
Structure:
CAS RN: 347364-75-4
CAS Name: 1,1-dioxo-4-(2-phenylethylamino)-3-thiolanol
OPENEYE Name: 1,1-dioxo-4-(2-phenylethylamino)thiolan-3-ol
IUPAC Name: 1,1-dioxo-4-(2-phenylethylamino)thiolan-3-ol
SYSTEMATIC NAME: 1,1-bis(oxidanylidene)-4-(2-phenylethylamino)thiolan-3-ol
MOLECULAR FORMULA: C12H17NO3S
MOLECULAR WEIGHT: 255.33328
SMILES: C1C(C(CS1(=O)=O)O)NCCC2=CC=CC=C2
Structure:
CAS RN: 4109-40-4
CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridinecarboxamide
OPENEYE Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyridine-3-carboxamide
IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyridine-3-carboxamide
MOLECULAR FORMULA: C16H15N3OS
MOLECULAR WEIGHT: 297.3748
SMILES: CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CN=CC=C3
Structure:
CAS RN: 6328-84-3
CAS Name: 1-ethyl-3,4-dimethylpyridin-1-ium iodide
OPENEYE Name: 1-ethyl-3,4-dimethyl-pyridin-1-ium iodide
IUPAC Name: 1-ethyl-3,4-dimethylpyridin-1-ium iodide
SYSTEMATIC NAME: 1-ethyl-3,4-dimethyl-pyridin-1-ium iodide
MOLECULAR FORMULA: C9H14IN
MOLECULAR WEIGHT: 263.11863
SMILES: CC[N+]1=CC(=C(C=C1)C)C.[I-]
Structure:
CAS RN: 95211-71-5
CAS Name: 7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C11H12N2OS
MOLECULAR WEIGHT: 220.29078
SMILES: CC1CCC2=C(C1)SC3=C2C(=O)NC=N3
Structure:
CAS RN: 6160-42-5
CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-3-methyl-1-oxobutyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2-[[2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoyl]amino]benzene-1,4-dicarboxylate
IUPAC Name: dimethyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]benzene-1,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoyl]amino]benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C23H22N2O7
MOLECULAR WEIGHT: 438.42998
SMILES: CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 6163-67-3
CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
OPENEYE Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-(p-tolyl)phenoxy]acetamide
IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
SYSTEMATIC NAME: N-(4-methoxy-2-nitro-phenyl)-2-[4-(4-methylphenyl)phenoxy]ethanamide
MOLECULAR FORMULA: C22H20N2O5
MOLECULAR WEIGHT: 392.4046
SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]
Structure:
CAS RN: 6839-88-9
CAS Name: 1-methyl-3-(2-pyridinylmethylideneamino)thiourea
OPENEYE Name: 1-methyl-3-(2-pyridylmethyleneamino)thiourea
IUPAC Name: 1-methyl-3-(pyridin-2-ylmethylideneamino)thiourea
SYSTEMATIC NAME: 1-methyl-3-(pyridin-2-ylmethylideneamino)thiourea
MOLECULAR FORMULA: C8H10N4S
MOLECULAR WEIGHT: 194.2568
SMILES: CNC(=S)NN=CC1=CC=CC=N1
Structure:
CAS RN: 302949-31-1
CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)propanehydrazide
OPENEYE Name: 2-(4-chloro-3,5-dimethyl-phenoxy)propanehydrazide
IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)propanehydrazide
SYSTEMATIC NAME: 2-(4-chloranyl-3,5-dimethyl-phenoxy)propanehydrazide
MOLECULAR FORMULA: C11H15ClN2O2
MOLECULAR WEIGHT: 242.702
SMILES: CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NN
Structure:
CAS RN: 6115-89-5
CAS Name: N-(2-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
OPENEYE Name: N-(2-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
IUPAC Name: N-(2-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
MOLECULAR FORMULA: C16H16ClNO3
MOLECULAR WEIGHT: 305.75614
SMILES: CC(C(=O)NC1=CC=CC=C1Cl)OC2=CC=C(C=C2)OC
Structure:
CAS RN: 6115-54-4
CAS Name: 6-methyl-2-[[oxo(pyridin-4-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-methyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 6-methyl-2-(pyridine-4-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 6-methyl-2-(pyridin-4-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C18H20N2O3S
MOLECULAR WEIGHT: 344.428
SMILES: CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=NC=C3
Structure:
CAS RN: 4150-36-1
CAS Name: 2-bromo-3,4,5-trimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
OPENEYE Name: 2-bromo-3,4,5-trimethoxy-N-(2-methoxy-4-nitro-phenyl)benzamide
IUPAC Name: 2-bromo-3,4,5-trimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
SYSTEMATIC NAME: 2-bromanyl-3,4,5-trimethoxy-N-(2-methoxy-4-nitro-phenyl)benzamide
MOLECULAR FORMULA: C17H17BrN2O7
MOLECULAR WEIGHT: 441.23008
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=C(C(=C2Br)OC)OC)OC
Structure:
CAS RN: 5972-32-7
CAS Name: 2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester
OPENEYE Name: methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
IUPAC Name: methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[2-(4-bromanylphenoxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C17H16BrNO4S
MOLECULAR WEIGHT: 410.28224
SMILES: COC(=O)C1=C(SC2=C1CCC2)NC(=O)COC3=CC=C(C=C3)Br
Structure:
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