CAS RN: 829-11-8
CAS Name: 2-(dimethylamino)-2-phenylacetamide
OPENEYE Name: 2-(dimethylamino)-2-phenyl-acetamide
IUPAC Name: 2-(dimethylamino)-2-phenylacetamide
SYSTEMATIC NAME: 2-(dimethylamino)-2-phenyl-ethanamide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CN(C)C(C1=CC=CC=C1)C(=O)N
Structure:
CAS RN: 5537-54-2
CAS Name: 2-(dimethylamino)-2-phenylacetamide hydrochloride
OPENEYE Name: 2-(dimethylamino)-2-phenyl-acetamide hydrochloride
IUPAC Name: 2-(dimethylamino)-2-phenylacetamide hydrochloride
SYSTEMATIC NAME: 2-(dimethylamino)-2-phenyl-ethanamide hydrochloride
MOLECULAR FORMULA: C10H15ClN2O
MOLECULAR WEIGHT: 214.6919
SMILES: CN(C)C(C1=CC=CC=C1)C(=O)N.Cl
Structure:
CAS RN: 5531-46-4
CAS Name: N-butyl-2-methyl-1-phenyl-2-propanamine
OPENEYE Name: N-butyl-2-methyl-1-phenyl-propan-2-amine
IUPAC Name: N-butyl-2-methyl-1-phenylpropan-2-amine
SYSTEMATIC NAME: N-butyl-2-methyl-1-phenyl-propan-2-amine
MOLECULAR FORMULA: C14H23N
MOLECULAR WEIGHT: 205.33912
SMILES: CCCCNC(C)(C)CC1=CC=CC=C1
Structure:
CAS RN: 5531-44-2
CAS Name: 2-methyl-1-phenyl-N-propyl-2-propanamine
OPENEYE Name: 2-methyl-1-phenyl-N-propyl-propan-2-amine
IUPAC Name: 2-methyl-1-phenyl-N-propylpropan-2-amine
SYSTEMATIC NAME: 2-methyl-1-phenyl-N-propyl-propan-2-amine
MOLECULAR FORMULA: C13H21N
MOLECULAR WEIGHT: 191.31254
SMILES: CCCNC(C)(C)CC1=CC=CC=C1
Structure:
CAS RN: 5531-31-7
CAS Name: 1-cyclohexyl-2-methyl-2-propanamine
OPENEYE Name: 1-cyclohexyl-2-methyl-propan-2-amine
IUPAC Name: 1-cyclohexyl-2-methylpropan-2-amine
SYSTEMATIC NAME: 1-cyclohexyl-2-methyl-propan-2-amine
MOLECULAR FORMULA: C10H21N
MOLECULAR WEIGHT: 155.28044
SMILES: CC(C)(CC1CCCCC1)N
Structure:
CAS RN: 5527-76-4
CAS Name: 5-methoxy-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-methoxy-4-oxo-chromene-2-carboxylate
IUPAC Name: ethyl 5-methoxy-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: ethyl 5-methoxy-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C13H12O5
MOLECULAR WEIGHT: 248.23138
SMILES: CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OC
Structure:
CAS RN: 5517-73-7
CAS Name: 3-(4-morpholinyl)-1-(4-propoxyphenyl)-1-propanone hydrochloride
OPENEYE Name: 3-morpholino-1-(4-propoxyphenyl)propan-1-one hydrochloride
IUPAC Name: 3-morpholin-4-yl-1-(4-propoxyphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 3-morpholin-4-yl-1-(4-propoxyphenyl)propan-1-one hydrochloride
MOLECULAR FORMULA: C16H24ClNO3
MOLECULAR WEIGHT: 313.81966
SMILES: CCCOC1=CC=C(C=C1)C(=O)CCN2CCOCC2.Cl
Structure:
CAS RN: 5512-92-5
CAS Name: 4-hexyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
OPENEYE Name: 4-hexyl-4-methyl-2,6-dioxo-piperidine-3,5-dicarbonitrile
IUPAC Name: 4-hexyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
SYSTEMATIC NAME: 4-hexyl-4-methyl-2,6-bis(oxidanylidene)piperidine-3,5-dicarbonitrile
MOLECULAR FORMULA: C14H19N3O2
MOLECULAR WEIGHT: 261.31956
SMILES: CCCCCCC1(C(C(=O)NC(=O)C1C#N)C#N)C
Structure:
CAS RN: 5504-68-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H12N2O
MOLECULAR WEIGHT: 284.31138
SMILES: CC1=CC2=C(C=C1)N=C3N2C(=O)C4=CC=CC5=C4C3=CC=C5
Structure:
CAS RN: 5502-38-5
CAS Name: 5-[3-(4-methyl-1-piperazinyl)propylthio]-3,4-dihydro-1H-pyrano[4,3-b]indole dihydrochloride
OPENEYE Name: 5-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-3,4-dihydro-1H-pyrano[4,3-b]indole dihydrochloride
IUPAC Name: 5-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-3,4-dihydro-1H-pyrano[4,3-b]indole dihydrochloride
SYSTEMATIC NAME: 5-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-3,4-dihydro-1H-pyrano[4,3-b]indole dihydrochloride
MOLECULAR FORMULA: C19H29Cl2N3OS
MOLECULAR WEIGHT: 418.42406
SMILES: CN1CCN(CC1)CCCSN2C3=C(COCC3)C4=CC=CC=C42.Cl.Cl
Structure:
CAS RN: 5500-76-5
CAS Name: 8-[2-(4-fluorophenyl)ethyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
OPENEYE Name: 8-[2-(4-fluorophenyl)ethyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
IUPAC Name: 8-[2-(4-fluorophenyl)ethyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
SYSTEMATIC NAME: 8-[2-(4-fluorophenyl)ethyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C15H19FN2O2
MOLECULAR WEIGHT: 278.321963
SMILES: C1CN(CCC12CNC(=O)O2)CCC3=CC=C(C=C3)F
Structure:
CAS RN: 5497-92-7
CAS Name: 3-(1-piperidinyl)-N-[(4-propoxyphenyl)methyl]propanamide hydrochloride
OPENEYE Name: 3-(1-piperidyl)-N-[(4-propoxyphenyl)methyl]propanamide hydrochloride
IUPAC Name: 3-piperidin-1-yl-N-[(4-propoxyphenyl)methyl]propanamide hydrochloride
SYSTEMATIC NAME: 3-piperidin-1-yl-N-[(4-propoxyphenyl)methyl]propanamide hydrochloride
MOLECULAR FORMULA: C18H29ClN2O2
MOLECULAR WEIGHT: 340.88806
SMILES: CCCOC1=CC=C(C=C1)CNC(=O)CCN2CCCCC2.Cl
Structure:
CAS RN: 5497-11-0
CAS Name: 2-acetamido-N-(2-benzoyl-4-chlorophenyl)acetamide
OPENEYE Name: 2-acetamido-N-(2-benzoyl-4-chloro-phenyl)acetamide
IUPAC Name: 2-acetamido-N-(2-benzoyl-4-chlorophenyl)acetamide
SYSTEMATIC NAME: 2-acetamido-N-[4-chloranyl-2-(phenylcarbonyl)phenyl]ethanamide
MOLECULAR FORMULA: C17H15ClN2O3
MOLECULAR WEIGHT: 330.7656
SMILES: CC(=O)NCC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 5496-27-5
CAS Name: 2-[2-(1-piperidinyl)ethyl]-1H-benzimidazole
OPENEYE Name: 2-[2-(1-piperidyl)ethyl]-1H-benzimidazole
IUPAC Name: 2-(2-piperidin-1-ylethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-(2-piperidin-1-ylethyl)-1H-benzimidazole
MOLECULAR FORMULA: C14H19N3
MOLECULAR WEIGHT: 229.32076
SMILES: C1CCN(CC1)CCC2=NC3=CC=CC=C3N2
Structure:
CAS RN: 5493-13-0
CAS Name: 1-[(1S,2R)-2-(2-chloro-10-phenothiazinyl)cyclopropyl]-N,N-dimethylmethanamine hydrochloride
OPENEYE Name: 1-[(1S,2R)-2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethyl-methanamine hydrochloride
IUPAC Name: 1-[(1S,2R)-2-(2-chlorophenothiazin-10-yl)cyclopropyl]-N,N-dimethylmethanamine hydrochloride
SYSTEMATIC NAME: 1-[(1S,2R)-2-(2-chloranylphenothiazin-10-yl)cyclopropyl]-N,N-dimethyl-methanamine hydrochloride
MOLECULAR FORMULA: C18H20Cl2N2S
MOLECULAR WEIGHT: 367.3358
SMILES: CN(C)C[C@@H]1C[C@H]1N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl
Structure:
CAS RN: 5489-13-4
CAS Name: 5-cyclohexyl-3-phenyl-3-pyrrolidinol hydrochloride
OPENEYE Name: 5-cyclohexyl-3-phenyl-pyrrolidin-3-ol hydrochloride
IUPAC Name: 5-cyclohexyl-3-phenylpyrrolidin-3-ol hydrochloride
SYSTEMATIC NAME: 5-cyclohexyl-3-phenyl-pyrrolidin-3-ol hydrochloride
MOLECULAR FORMULA: C16H24ClNO
MOLECULAR WEIGHT: 281.82086
SMILES: C1CCC(CC1)C2CC(CN2)(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 5487-00-3
CAS Name: 2-(aminomethyl)-6-[4,6-diamino-3-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
OPENEYE Name: 2-(aminomethyl)-6-[4,6-diamino-3-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(aminomethyl)-6-[4,6-diamino-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: 2-(aminomethyl)-6-[4,6-bis(azanyl)-3-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C18H36N4O10
MOLECULAR WEIGHT: 468.49924
SMILES: CC1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)N)O)N)O
Structure:
CAS RN: 5471-55-6
CAS Name: 2-cyclohexylethanamine hydrochloride
OPENEYE Name: 2-cyclohexylethanamine hydrochloride
IUPAC Name: 2-cyclohexylethanamine hydrochloride
SYSTEMATIC NAME: 2-cyclohexylethanamine hydrochloride
MOLECULAR FORMULA: C8H18ClN
MOLECULAR WEIGHT: 163.68822
SMILES: C1CCC(CC1)CCN.Cl
Structure:
CAS RN: 5783-00-6
CAS Name: 1,4-bis(2-phenylethyl)piperazine
OPENEYE Name: 1,4-bis(2-phenylethyl)piperazine
IUPAC Name: 1,4-bis(2-phenylethyl)piperazine
SYSTEMATIC NAME: 1,4-bis(2-phenylethyl)piperazine
MOLECULAR FORMULA: C20H26N2
MOLECULAR WEIGHT: 294.43384
SMILES: C1CN(CCN1CCC2=CC=CC=C2)CCC3=CC=CC=C3
Structure:
CAS RN: 5470-57-5
CAS Name: 1,4-bis(2-phenylethyl)piperazine dihydrochloride
OPENEYE Name: 1,4-bis(2-phenylethyl)piperazine dihydrochloride
IUPAC Name: 1,4-bis(2-phenylethyl)piperazine dihydrochloride
SYSTEMATIC NAME: 1,4-bis(2-phenylethyl)piperazine dihydrochloride
MOLECULAR FORMULA: C20H28Cl2N2
MOLECULAR WEIGHT: 367.35572
SMILES: C1CN(CCN1CCC2=CC=CC=C2)CCC3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 4746-56-9
CAS Name: 2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole
OPENEYE Name: 2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole
IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole
SYSTEMATIC NAME: 2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole
MOLECULAR FORMULA: C18H18N4
MOLECULAR WEIGHT: 290.36232
SMILES: C1=CC=C2C(=C1)NC(=N2)CCCCC3=NC4=CC=CC=C4N3
Structure:
CAS RN: 5460-88-8
CAS Name: 2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole dihydrochloride
OPENEYE Name: 2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole dihydrochloride
IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole dihydrochloride
SYSTEMATIC NAME: 2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole dihydrochloride
MOLECULAR FORMULA: C18H20Cl2N4
MOLECULAR WEIGHT: 363.2842
SMILES: C1=CC=C2C(=C1)NC(=N2)CCCCC3=NC4=CC=CC=C4N3.Cl.Cl
Structure:
CAS RN: 5460-03-7
CAS Name: 1-(4-morpholinyl)-2,3-dihydro-1H-inden-2-ol hydrochloride
OPENEYE Name: 1-morpholinoindan-2-ol hydrochloride
IUPAC Name: 1-morpholin-4-yl-2,3-dihydro-1H-inden-2-ol hydrochloride
SYSTEMATIC NAME: 1-morpholin-4-yl-2,3-dihydro-1H-inden-2-ol hydrochloride
MOLECULAR FORMULA: C13H18ClNO2
MOLECULAR WEIGHT: 255.74052
SMILES: C1COCCN1C2C(CC3=CC=CC=C23)O.Cl
Structure:
CAS RN: 5447-94-9
CAS Name: N,N-bis(2-chloroethyl)-2-ethoxyethanamine oxide hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-2-ethoxy-ethanamine oxide hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-2-ethoxyethanamine oxide hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-ethoxy-ethanamine oxide hydrochloride
MOLECULAR FORMULA: C8H18Cl3NO2
MOLECULAR WEIGHT: 266.59302
SMILES: CCOCC[N+](CCCl)(CCCl)[O-].Cl
Structure:
CAS RN: 5445-73-8
CAS Name: 2-(methylthio)-1,4,5,6-tetrahydropyrimidine hydroiodide
OPENEYE Name: 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidine hydroiodide
IUPAC Name: 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidine hydroiodide
SYSTEMATIC NAME: 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidine hydroiodide
MOLECULAR FORMULA: C5H11IN2S
MOLECULAR WEIGHT: 258.12371
SMILES: CSC1=NCCCN1.I
Structure:
CAS RN: 5434-06-0
CAS Name: 4-methylsulfonylbenzenecarboximidamide hydrochloride
OPENEYE Name: 4-methylsulfonylbenzamidine hydrochloride
IUPAC Name: 4-methylsulfonylbenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 4-methylsulfonylbenzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C8H11ClN2O2S
MOLECULAR WEIGHT: 234.70314
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(=N)N.Cl
Structure:
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