CAS RN: 5356-65-0
CAS Name: 1-(5-nitro-2-pyridinyl)benzimidazole
OPENEYE Name: 1-(5-nitro-2-pyridyl)benzimidazole
IUPAC Name: 1-(5-nitropyridin-2-yl)benzimidazole
SYSTEMATIC NAME: 1-(5-nitropyridin-2-yl)benzimidazole
MOLECULAR FORMULA: C12H8N4O2
MOLECULAR WEIGHT: 240.21752
SMILES: C1=CC=C2C(=C1)N=CN2C3=NC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 436088-83-4
CAS Name: 3-amino-5-fluoro-1H-indole-2-carboxylic acid methyl ester
OPENEYE Name: methyl 3-amino-5-fluoro-1H-indole-2-carboxylate
IUPAC Name: methyl 3-amino-5-fluoro-1H-indole-2-carboxylate
SYSTEMATIC NAME: methyl 3-azanyl-5-fluoranyl-1H-indole-2-carboxylate
MOLECULAR FORMULA: C10H9FN2O2
MOLECULAR WEIGHT: 208.189063
SMILES: COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)N
Structure:
CAS RN: 436088-92-5
CAS Name: 2,4-bis(4-morpholinyl)aniline
OPENEYE Name: 2,4-dimorpholinoaniline
IUPAC Name: 2,4-dimorpholin-4-ylaniline
SYSTEMATIC NAME: 2,4-dimorpholin-4-ylaniline
MOLECULAR FORMULA: C14H21N3O2
MOLECULAR WEIGHT: 263.33544
SMILES: C1COCCN1C2=CC(=C(C=C2)N)N3CCOCC3
Structure:
CAS RN: 17377-97-8
CAS Name: N-(2-furanylmethyl)-4-methoxyaniline
OPENEYE Name: N-(2-furylmethyl)-4-methoxy-aniline
IUPAC Name: N-(furan-2-ylmethyl)-4-methoxyaniline
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-4-methoxy-aniline
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: COC1=CC=C(C=C1)NCC2=CC=CO2
Structure:
CAS RN: 436099-83-1
CAS Name: N-(2-furanylmethyl)-1-(4-methylphenyl)methanamine
OPENEYE Name: N-(2-furylmethyl)-1-(p-tolyl)methanamine
IUPAC Name: N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-1-(4-methylphenyl)methanamine
MOLECULAR FORMULA: C13H15NO
MOLECULAR WEIGHT: 201.2643
SMILES: CC1=CC=C(C=C1)CNCC2=CC=CO2
Structure:
CAS RN: 435345-41-8
CAS Name: 1-[(2-fluorophenyl)methyl]piperazine
OPENEYE Name: 1-[(2-fluorophenyl)methyl]piperazine
IUPAC Name: 1-[(2-fluorophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(2-fluorophenyl)methyl]piperazine
MOLECULAR FORMULA: C11H15FN2
MOLECULAR WEIGHT: 194.248603
SMILES: C1CN(CCN1)CC2=CC=CC=C2F
Structure:
CAS RN: 435345-42-9
CAS Name: 1-(4-methylcyclohexyl)piperazine
OPENEYE Name: 1-(4-methylcyclohexyl)piperazine
IUPAC Name: 1-(4-methylcyclohexyl)piperazine
SYSTEMATIC NAME: 1-(4-methylcyclohexyl)piperazine
MOLECULAR FORMULA: C11H22N2
MOLECULAR WEIGHT: 182.30578
SMILES: CC1CCC(CC1)N2CCNCC2
Structure:
CAS RN: 5337-75-7
CAS Name: N'-[(3-chlorophenyl)-oxomethyl]-2-methylbenzohydrazide
OPENEYE Name: N'-(3-chlorobenzoyl)-2-methyl-benzohydrazide
IUPAC Name: N'-(3-chlorobenzoyl)-2-methylbenzohydrazide
SYSTEMATIC NAME: N'-(3-chlorophenyl)carbonyl-2-methyl-benzohydrazide
MOLECULAR FORMULA: C15H13ClN2O2
MOLECULAR WEIGHT: 288.72892
SMILES: CC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 436086-97-4
CAS Name: 4-oxo-4-[4-(1-piperidinyl)anilino]butanoic acid
OPENEYE Name: 4-oxo-4-[4-(1-piperidyl)anilino]butanoic acid
IUPAC Name: 4-oxo-4-(4-piperidin-1-ylanilino)butanoic acid
SYSTEMATIC NAME: 4-oxidanylidene-4-[(4-piperidin-1-ylphenyl)amino]butanoic acid
MOLECULAR FORMULA: C15H20N2O3
MOLECULAR WEIGHT: 276.3309
SMILES: C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)O
Structure:
CAS RN: 436087-23-9
CAS Name: N-[4-(1-azepanyl)phenyl]-2-chloroacetamide
OPENEYE Name: N-[4-(azepan-1-yl)phenyl]-2-chloro-acetamide
IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-chloroacetamide
SYSTEMATIC NAME: N-[4-(azepan-1-yl)phenyl]-2-chloranyl-ethanamide
MOLECULAR FORMULA: C14H19ClN2O
MOLECULAR WEIGHT: 266.76646
SMILES: C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCl
Structure:
CAS RN: 436087-22-8
CAS Name: N-[2-(1-azepanyl)phenyl]-2-chloroacetamide
OPENEYE Name: N-[2-(azepan-1-yl)phenyl]-2-chloro-acetamide
IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-chloroacetamide
SYSTEMATIC NAME: N-[2-(azepan-1-yl)phenyl]-2-chloranyl-ethanamide
MOLECULAR FORMULA: C14H19ClN2O
MOLECULAR WEIGHT: 266.76646
SMILES: C1CCCN(CC1)C2=CC=CC=C2NC(=O)CCl
Structure:
CAS RN: 53617-35-9
CAS Name: 4-(4-piperidinyl)morpholine
OPENEYE Name: 4-(4-piperidyl)morpholine
IUPAC Name: 4-piperidin-4-ylmorpholine
SYSTEMATIC NAME: 4-piperidin-4-ylmorpholine
MOLECULAR FORMULA: C9H18N2O
MOLECULAR WEIGHT: 170.25202
SMILES: C1CNCCC1N2CCOCC2
Structure:
CAS RN: 116797-02-5
CAS Name: 4-methyl-1-(4-piperidinyl)piperidine
OPENEYE Name: 4-methyl-1-(4-piperidyl)piperidine
IUPAC Name: 4-methyl-1-piperidin-4-ylpiperidine
SYSTEMATIC NAME: 4-methyl-1-piperidin-4-yl-piperidine
MOLECULAR FORMULA: C11H22N2
MOLECULAR WEIGHT: 182.30578
SMILES: CC1CCN(CC1)C2CCNCC2
Structure:
CAS RN: 53617-36-0
CAS Name: 1-methyl-4-(4-piperidinyl)piperazine
OPENEYE Name: 1-methyl-4-(4-piperidyl)piperazine
IUPAC Name: 1-methyl-4-piperidin-4-ylpiperazine
SYSTEMATIC NAME: 1-methyl-4-piperidin-4-yl-piperazine
MOLECULAR FORMULA: C10H21N3
MOLECULAR WEIGHT: 183.29384
SMILES: CN1CCN(CC1)C2CCNCC2
Structure:
CAS RN: 99726-99-5
CAS Name: 1-methyl-4-(4-piperidinyl)piperazine
OPENEYE Name: 1-methyl-4-(4-piperidyl)piperazine
IUPAC Name: 1-methyl-4-piperidin-4-ylpiperazine
SYSTEMATIC NAME: 1-methyl-4-piperidin-4-yl-piperazine
MOLECULAR FORMULA: C10H21N3
MOLECULAR WEIGHT: 183.29384
SMILES: CN1CCN(CC1)C2CCNCC2
Structure:
CAS RN: 55-95-8
CAS Name: 2-(dimethylamino)-5-pyrimidinecarboxaldehyde
OPENEYE Name: 2-(dimethylamino)pyrimidine-5-carbaldehyde
IUPAC Name: 2-(dimethylamino)pyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 2-(dimethylamino)pyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C7H9N3O
MOLECULAR WEIGHT: 151.16586
SMILES: CN(C)C1=NC=C(C=N1)C=O
Structure:
CAS RN: 436086-89-4
CAS Name: 4-methoxy-3-(1-pyrazolylmethyl)benzaldehyde
OPENEYE Name: 4-methoxy-3-(pyrazol-1-ylmethyl)benzaldehyde
IUPAC Name: 4-methoxy-3-(pyrazol-1-ylmethyl)benzaldehyde
SYSTEMATIC NAME: 4-methoxy-3-(pyrazol-1-ylmethyl)benzaldehyde
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: COC1=C(C=C(C=C1)C=O)CN2C=CC=N2
Structure:
CAS RN: 90836-25-2
CAS Name: 5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-(1,1-dimethylpropyl)-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C7H13N3S
MOLECULAR WEIGHT: 171.26322
SMILES: CCC(C)(C)C1=NN=C(S1)N
Structure:
CAS RN: 5752-85-2
CAS Name: 3-ethoxy-N-(3-pyridinyl)benzamide
OPENEYE Name: 3-ethoxy-N-(3-pyridyl)benzamide
IUPAC Name: 3-ethoxy-N-pyridin-3-ylbenzamide
SYSTEMATIC NAME: 3-ethoxy-N-pyridin-3-yl-benzamide
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: CCOC1=CC=CC(=C1)C(=O)NC2=CN=CC=C2
Structure:
CAS RN: 19514-92-2
CAS Name: 2-chloro-N-(4-phenylmethoxyphenyl)acetamide
OPENEYE Name: N-(4-benzyloxyphenyl)-2-chloro-acetamide
IUPAC Name: 2-chloro-N-(4-phenylmethoxyphenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(4-phenylmethoxyphenyl)ethanamide
MOLECULAR FORMULA: C15H14ClNO2
MOLECULAR WEIGHT: 275.73016
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCl
Structure:
CAS RN: 5319-76-6
CAS Name: 4-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
OPENEYE Name: 4-[(2-benzyloxyphenyl)methyleneamino]benzamide
IUPAC Name: 4-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
SYSTEMATIC NAME: 4-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
MOLECULAR FORMULA: C21H18N2O2
MOLECULAR WEIGHT: 330.37982
SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2C=NC3=CC=C(C=C3)C(=O)N
Structure:
CAS RN: 5652-36-8
CAS Name: 4-ethoxy-1,3-dimethyl-2-(4-methylphenyl)-8-cyclohepta[c]pyrrolone
OPENEYE Name: 4-ethoxy-1,3-dimethyl-2-(p-tolyl)cyclohepta[c]pyrrol-8-one
IUPAC Name: 4-ethoxy-1,3-dimethyl-2-(4-methylphenyl)cyclohepta[c]pyrrol-8-one
SYSTEMATIC NAME: 4-ethoxy-1,3-dimethyl-2-(4-methylphenyl)cyclohepta[c]pyrrol-8-one
MOLECULAR FORMULA: C20H21NO2
MOLECULAR WEIGHT: 307.38624
SMILES: CCOC1=CC=CC(=O)C2=C(N(C(=C12)C)C3=CC=C(C=C3)C)C
Structure:
CAS RN: 61397-58-8
CAS Name: [(2S,4R)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methanol
OPENEYE Name: [(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
IUPAC Name: [(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
SYSTEMATIC NAME: [(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
MOLECULAR FORMULA: C14H14Cl2N2O3
MOLECULAR WEIGHT: 329.17856
SMILES: C1[C@H](O[C@](O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)CO
Structure:
CAS RN: 5852-19-7
CAS Name: (3,6-dichloro-1-benzothiophen-2-yl)-(4-methyl-1-piperazinyl)methanone
OPENEYE Name: (3,6-dichlorobenzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
IUPAC Name: (3,6-dichloro-1-benzothiophen-2-yl)-(4-methylpiperazin-1-yl)methanone
SYSTEMATIC NAME: [3,6-bis(chloranyl)-1-benzothiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
MOLECULAR FORMULA: C14H14Cl2N2OS
MOLECULAR WEIGHT: 329.24476
SMILES: CN1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl
Structure:
CAS RN: 5317-70-4
CAS Name: N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
OPENEYE Name: N-(4-tert-butyl-2,6-dimethyl-phenyl)-2,2,2-trifluoro-acetamide
IUPAC Name: N-(4-tert-butyl-2,6-dimethylphenyl)-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-(4-tert-butyl-2,6-dimethyl-phenyl)-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C14H18F3NO
MOLECULAR WEIGHT: 273.29403
SMILES: CC1=CC(=CC(=C1NC(=O)C(F)(F)F)C)C(C)(C)C
Structure:
CAS RN: 67774-90-7
CAS Name: (3S)-4-amino-3-(4-methylphenyl)butanoic acid
OPENEYE Name: (3S)-4-amino-3-(p-tolyl)butanoic acid
IUPAC Name: (3S)-4-amino-3-(4-methylphenyl)butanoic acid
SYSTEMATIC NAME: (3S)-4-azanyl-3-(4-methylphenyl)butanoic acid
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CC1=CC=C(C=C1)[C@H](CC(=O)O)CN
Structure:
CAS RN: 5630-45-5
CAS Name: (E)-3-(2-furanyl)-2-propenoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester
OPENEYE Name: [2-(3-nitrophenyl)-2-oxo-ethyl] (E)-3-(2-furyl)prop-2-enoate
IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SYSTEMATIC NAME: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] (E)-3-(furan-2-yl)prop-2-enoate
MOLECULAR FORMULA: C15H11NO6
MOLECULAR WEIGHT: 301.25094
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)/C=C/C2=CC=CO2
Structure:
CAS RN: 5895-48-7
CAS Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-methylpiperidine
OPENEYE Name: 1-(5-bromo-2-methyl-phenyl)sulfonyl-4-methyl-piperidine
IUPAC Name: 1-(5-bromo-2-methylphenyl)sulfonyl-4-methylpiperidine
SYSTEMATIC NAME: 1-(5-bromanyl-2-methyl-phenyl)sulfonyl-4-methyl-piperidine
MOLECULAR FORMULA: C13H18BrNO2S
MOLECULAR WEIGHT: 332.25652
SMILES: CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Br)C
Structure:
CAS RN: 5314-16-9
CAS Name: N-(4-chlorophenyl)-1-(2-nitrophenyl)methanimine
OPENEYE Name: N-(4-chlorophenyl)-1-(2-nitrophenyl)methanimine
IUPAC Name: N-(4-chlorophenyl)-1-(2-nitrophenyl)methanimine
SYSTEMATIC NAME: N-(4-chlorophenyl)-1-(2-nitrophenyl)methanimine
MOLECULAR FORMULA: C13H9ClN2O2
MOLECULAR WEIGHT: 260.67576
SMILES: C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)Cl)[N+](=O)[O-]
Structure:
CAS RN: 5424-48-6
CAS Name: (4-bromophenyl)-(4-methoxyphenyl)methanone
OPENEYE Name: (4-bromophenyl)-(4-methoxyphenyl)methanone
IUPAC Name: (4-bromophenyl)-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: (4-bromophenyl)-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C14H11BrO2
MOLECULAR WEIGHT: 291.13994
SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 254753-54-3
CAS Name: (4S)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C14H16N2O3S
MOLECULAR WEIGHT: 292.35344
SMILES: CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=CC=C2)O)C
Structure:
CAS RN: 5330-95-0
CAS Name: 2,2,3,3-tetramethyl-1-cyclopropanecarboxylic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropanecarboxylate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
MOLECULAR FORMULA: C12H17NO4
MOLECULAR WEIGHT: 239.26768
SMILES: CC1(C(C1(C)C)C(=O)ON2C(=O)CCC2=O)C
Structure:
CAS RN: 1827-13-0
CAS Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetic acid
OPENEYE Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
IUPAC Name: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid
MOLECULAR FORMULA: C13H13N3O2S
MOLECULAR WEIGHT: 275.32622
SMILES: C=CCN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2
Structure:
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