CAS RN: 3926-21-4
CAS Name: cyclohexylsulfamic acid; N,2-dimethyl-N-(1-phenylpropan-2-yl)-3-thiophenamine
OPENEYE Name: cyclohexylsulfamic acid; N,2-dimethyl-N-(1-methyl-2-phenyl-ethyl)thiophen-3-amine
IUPAC Name: cyclohexylsulfamic acid; N,2-dimethyl-N-(1-phenylpropan-2-yl)thiophen-3-amine
SYSTEMATIC NAME: cyclohexylsulfamic acid; N,2-dimethyl-N-(1-phenylpropan-2-yl)thiophen-3-amine
MOLECULAR FORMULA: C21H32N2O3S2
MOLECULAR WEIGHT: 424.62038
SMILES: CC1=C(C=CS1)N(C)C(C)CC2=CC=CC=C2.C1CCC(CC1)NS(=O)(=O)O
Structure:
CAS RN: 3922-01-8
CAS Name: 1-[4-(1-pyrrolidinyl)phenyl]-2-pyrrolidinone
OPENEYE Name: 1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
IUPAC Name: 1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
MOLECULAR FORMULA: C14H18N2O
MOLECULAR WEIGHT: 230.30552
SMILES: C1CCN(C1)C2=CC=C(C=C2)N3CCCC3=O
Structure:
CAS RN: 3921-99-1
CAS Name: 1-[4-(dipropylamino)but-2-ynyl]-2-pyrrolidinone
OPENEYE Name: 1-[4-(dipropylamino)but-2-ynyl]pyrrolidin-2-one
IUPAC Name: 1-[4-(dipropylamino)but-2-ynyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[4-(dipropylamino)but-2-ynyl]pyrrolidin-2-one
MOLECULAR FORMULA: C14H24N2O
MOLECULAR WEIGHT: 236.35316
SMILES: CCCN(CCC)CC#CCN1CCCC1=O
Structure:
CAS RN: 3921-98-0
CAS Name: 1-(4-ethoxybut-2-ynyl)pyrrolidine
OPENEYE Name: 1-(4-ethoxybut-2-ynyl)pyrrolidine
IUPAC Name: 1-(4-ethoxybut-2-ynyl)pyrrolidine
SYSTEMATIC NAME: 1-(4-ethoxybut-2-ynyl)pyrrolidine
MOLECULAR FORMULA: C10H17NO
MOLECULAR WEIGHT: 167.24808
SMILES: CCOCC#CCN1CCCC1
Structure:
CAS RN: 3921-97-9
CAS Name: 2-[4-(1-pyrrolidinyl)but-2-ynyl]isoindole-1,3-dione
OPENEYE Name: 2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindoline-1,3-dione
IUPAC Name: 2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(4-pyrrolidin-1-ylbut-2-ynyl)isoindole-1,3-dione
MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: C1CCN(C1)CC#CCN2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 14052-94-9
CAS Name: 1-[4-(1-pyrrolidinyl)butyl]-2-pyrrolidinone
OPENEYE Name: 1-(4-pyrrolidin-1-ylbutyl)pyrrolidin-2-one
IUPAC Name: 1-(4-pyrrolidin-1-ylbutyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(4-pyrrolidin-1-ylbutyl)pyrrolidin-2-one
MOLECULAR FORMULA: C12H22N2O
MOLECULAR WEIGHT: 210.31588
SMILES: C1CCN(C1)CCCCN2CCCC2=O
Structure:
CAS RN: 3921-96-8
CAS Name: oxalic acid; 1-[4-(1-pyrrolidinyl)butyl]-2-pyrrolidinone
OPENEYE Name: oxalic acid; 1-(4-pyrrolidin-1-ylbutyl)pyrrolidin-2-one
IUPAC Name: oxalic acid; 1-(4-pyrrolidin-1-ylbutyl)pyrrolidin-2-one
SYSTEMATIC NAME: ethanedioic acid; 1-(4-pyrrolidin-1-ylbutyl)pyrrolidin-2-one
MOLECULAR FORMULA: C14H24N2O5
MOLECULAR WEIGHT: 300.35076
SMILES: C1CCN(C1)CCCCN2CCCC2=O.C(=O)(C(=O)O)O
Structure:
CAS RN: 3921-94-6
CAS Name: acetic acid 4-(dimethylamino)but-2-ynyl ester
OPENEYE Name: 4-(dimethylamino)but-2-ynyl acetate
IUPAC Name: 4-(dimethylamino)but-2-ynyl acetate
SYSTEMATIC NAME: 4-(dimethylamino)but-2-ynyl ethanoate
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: CC(=O)OCC#CCN(C)C
Structure:
CAS RN: 3921-93-5
CAS Name: acetic acid 4-(1-pyrrolidinyl)but-2-ynyl ester
OPENEYE Name: 4-pyrrolidin-1-ylbut-2-ynyl acetate
IUPAC Name: 4-pyrrolidin-1-ylbut-2-ynyl acetate
SYSTEMATIC NAME: 4-pyrrolidin-1-ylbut-2-ynyl ethanoate
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CC(=O)OCC#CCN1CCCC1
Structure:
CAS RN: 3916-80-1
CAS Name: N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
OPENEYE Name: N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
IUPAC Name: N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
SYSTEMATIC NAME: N-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C10H9N3O2
MOLECULAR WEIGHT: 203.19736
SMILES: CC(=O)NC1=NN=C(O1)C2=CC=CC=C2
Structure:
CAS RN: 3910-25-6
CAS Name: 4-methoxy-6-propyl-1,3,5-triazin-2-amine
OPENEYE Name: 4-methoxy-6-propyl-1,3,5-triazin-2-amine
IUPAC Name: 4-methoxy-6-propyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-methoxy-6-propyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C7H12N4O
MOLECULAR WEIGHT: 168.19638
SMILES: CCCC1=NC(=NC(=N1)OC)N
Structure:
CAS RN: 3907-64-0
CAS Name: carbamimidothioic acid [1-phenyl-2-(1-piperidinyl)ethyl] ester dihydrochloride
OPENEYE Name: 2-[1-phenyl-2-(1-piperidyl)ethyl]isothiourea dihydrochloride
IUPAC Name: (1-phenyl-2-piperidin-1-ylethyl) carbamimidothioate dihydrochloride
SYSTEMATIC NAME: (1-phenyl-2-piperidin-1-yl-ethyl) carbamimidothioate dihydrochloride
MOLECULAR FORMULA: C14H23Cl2N3S
MOLECULAR WEIGHT: 336.32352
SMILES: C1CCN(CC1)CC(C2=CC=CC=C2)SC(=N)N.Cl.Cl
Structure:
CAS RN: 3907-60-6
CAS Name: 2-[(2-amino-1-phenylethyl)disulfanyl]-2-phenylethanamine dihydrochloride
OPENEYE Name: 2-[(2-amino-1-phenyl-ethyl)disulfanyl]-2-phenyl-ethanamine dihydrochloride
IUPAC Name: 2-[(2-amino-1-phenylethyl)disulfanyl]-2-phenylethanamine dihydrochloride
SYSTEMATIC NAME: 2-[(2-azanyl-1-phenyl-ethyl)disulfanyl]-2-phenyl-ethanamine dihydrochloride
MOLECULAR FORMULA: C16H22Cl2N2S2
MOLECULAR WEIGHT: 377.39528
SMILES: C1=CC=C(C=C1)C(CN)SSC(CN)C2=CC=CC=C2.Cl.Cl
Structure:
CAS RN: 3894-18-6
CAS Name: 2-methyl-2-(2-naphthalenyloxymethyl)propane-1,3-diol
OPENEYE Name: 2-methyl-2-(2-naphthyloxymethyl)propane-1,3-diol
IUPAC Name: 2-methyl-2-(naphthalen-2-yloxymethyl)propane-1,3-diol
SYSTEMATIC NAME: 2-methyl-2-(naphthalen-2-yloxymethyl)propane-1,3-diol
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: CC(CO)(CO)COC1=CC2=CC=CC=C2C=C1
Structure:
CAS RN: 3894-17-5
CAS Name: 2-[(2-methoxyphenoxy)methyl]-2-methylpropane-1,3-diol
OPENEYE Name: 2-[(2-methoxyphenoxy)methyl]-2-methyl-propane-1,3-diol
IUPAC Name: 2-[(2-methoxyphenoxy)methyl]-2-methylpropane-1,3-diol
SYSTEMATIC NAME: 2-[(2-methoxyphenoxy)methyl]-2-methyl-propane-1,3-diol
MOLECULAR FORMULA: C12H18O4
MOLECULAR WEIGHT: 226.26892
SMILES: CC(CO)(CO)COC1=CC=CC=C1OC
Structure:
CAS RN: 3894-16-4
CAS Name: 2-[(2-chlorophenoxy)methyl]-2-methylpropane-1,3-diol
OPENEYE Name: 2-[(2-chlorophenoxy)methyl]-2-methyl-propane-1,3-diol
IUPAC Name: 2-[(2-chlorophenoxy)methyl]-2-methylpropane-1,3-diol
SYSTEMATIC NAME: 2-[(2-chloranylphenoxy)methyl]-2-methyl-propane-1,3-diol
MOLECULAR FORMULA: C11H15ClO3
MOLECULAR WEIGHT: 230.688
SMILES: CC(CO)(CO)COC1=CC=CC=C1Cl
Structure:
CAS RN: 3891-74-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24INO3
MOLECULAR WEIGHT: 429.29253
SMILES: C[N+]1(CCC23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O)C.[I-]
Structure:
CAS RN: 3889-20-1
CAS Name: 3-(2-phenylethyl)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 3-(2-phenylethyl)-2-thioxo-thiazolidin-4-one
IUPAC Name: 3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C11H11NOS2
MOLECULAR WEIGHT: 237.34114
SMILES: C1C(=O)N(C(=S)S1)CCC2=CC=CC=C2
Structure:
CAS RN: 3884-60-4
CAS Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]pyrimidine
OPENEYE Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
IUPAC Name: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
SYSTEMATIC NAME: 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
MOLECULAR FORMULA: C18H24N4O3
MOLECULAR WEIGHT: 344.40816
SMILES: COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3)OC)OC
Structure:
CAS RN: 3867-74-1
CAS Name: 2-butylguanidine; sulfuric acid
OPENEYE Name: 2-butylguanidine; sulfuric acid
IUPAC Name: 2-butylguanidine; sulfuric acid
SYSTEMATIC NAME: 2-butylguanidine; sulfuric acid
MOLECULAR FORMULA: C10H28N6O4S
MOLECULAR WEIGHT: 328.43212
SMILES: CCCCN=C(N)N.CCCCN=C(N)N.OS(=O)(=O)O
Structure:
CAS RN: 3861-69-6
CAS Name: 1-methyl-2-pyridin-1-iumcarboxamide iodide
OPENEYE Name: 1-methylpyridin-1-ium-2-carboxamide iodide
IUPAC Name: 1-methylpyridin-1-ium-2-carboxamide iodide
SYSTEMATIC NAME: 1-methylpyridin-1-ium-2-carboxamide iodide
MOLECULAR FORMULA: C7H9IN2O
MOLECULAR WEIGHT: 264.06363
SMILES: C[N+]1=CC=CC=C1C(=O)N.[I-]
Structure:
CAS RN: 3858-25-1
CAS Name: 4-methyl-1-phenoxy-2,3-dihydro-1$l^{5}-phosphole 1-oxide
OPENEYE Name: 4-methyl-1-phenoxy-2,3-dihydro-1$l^{5}-phosphole 1-oxide
IUPAC Name: 4-methyl-1-phenoxy-2,3-dihydro-1$l^{5}-phosphole 1-oxide
SYSTEMATIC NAME: 4-methyl-1-phenoxy-2,3-dihydro-1$l^{5}-phosphole 1-oxide
MOLECULAR FORMULA: C11H13O2P
MOLECULAR WEIGHT: 208.193481
SMILES: CC1=CP(=O)(CC1)OC2=CC=CC=C2
Structure:
CAS RN: 3858-23-9
CAS Name: 1-cyclohexyloxy-3-methyl-2,5-dihydro-1$l^{5}-phosphole 1-oxide
OPENEYE Name: 1-(cyclohexoxy)-3-methyl-2,5-dihydro-1$l^{5}-phosphole 1-oxide
IUPAC Name: 1-cyclohexyloxy-3-methyl-2,5-dihydro-1$l^{5}-phosphole 1-oxide
SYSTEMATIC NAME: 1-cyclohexyloxy-3-methyl-2,5-dihydro-1$l^{5}-phosphole 1-oxide
MOLECULAR FORMULA: C11H19O2P
MOLECULAR WEIGHT: 214.241121
SMILES: CC1=CCP(=O)(C1)OC2CCCCC2
Structure:
CAS RN: 3858-19-3
CAS Name: 1-butoxy-3-methyl-2,5-dihydro-1$l^{5}-phosphole 1-oxide
OPENEYE Name: 1-butoxy-3-methyl-2,5-dihydro-1$l^{5}-phosphole 1-oxide
IUPAC Name: 1-butoxy-3-methyl-2,5-dihydro-1$l^{5}-phosphole 1-oxide
SYSTEMATIC NAME: 1-butoxy-3-methyl-2,5-dihydro-1$l^{5}-phosphole 1-oxide
MOLECULAR FORMULA: C9H17O2P
MOLECULAR WEIGHT: 188.203841
SMILES: CCCCOP1(=O)CC=C(C1)C
Structure:
CAS RN: 3855-24-1
CAS Name: cyclohexane-1,1-dithiol
OPENEYE Name: cyclohexane-1,1-dithiol
IUPAC Name: cyclohexane-1,1-dithiol
SYSTEMATIC NAME: cyclohexane-1,1-dithiol
MOLECULAR FORMULA: C6H12S2
MOLECULAR WEIGHT: 148.28948
SMILES: C1CCC(CC1)(S)S
Structure:
CAS RN: 3854-14-6
CAS Name: 2-[4-(dimethylamino)but-2-ynyl]-1-cyclopentanone hydrochloride
OPENEYE Name: 2-[4-(dimethylamino)but-2-ynyl]cyclopentanone hydrochloride
IUPAC Name: 2-[4-(dimethylamino)but-2-ynyl]cyclopentan-1-one hydrochloride
SYSTEMATIC NAME: 2-[4-(dimethylamino)but-2-ynyl]cyclopentan-1-one hydrochloride
MOLECULAR FORMULA: C11H18ClNO
MOLECULAR WEIGHT: 215.71972
SMILES: CN(C)CC#CCC1CCCC1=O.Cl
Structure:
CAS RN: 3854-13-5
CAS Name: 2-[4-(1-pyrrolidinyl)but-2-ynyl]-1-cyclopentanone hydrochloride
OPENEYE Name: 2-(4-pyrrolidin-1-ylbut-2-ynyl)cyclopentanone hydrochloride
IUPAC Name: 2-(4-pyrrolidin-1-ylbut-2-ynyl)cyclopentan-1-one hydrochloride
SYSTEMATIC NAME: 2-(4-pyrrolidin-1-ylbut-2-ynyl)cyclopentan-1-one hydrochloride
MOLECULAR FORMULA: C13H20ClNO
MOLECULAR WEIGHT: 241.757
SMILES: C1CCN(C1)CC#CCC2CCCC2=O.Cl
Structure:
CAS RN: 3854-12-4
CAS Name: 4-[dimethylamino(oxo)methoxy]but-2-ynyl-trimethylammonium iodide
OPENEYE Name: 4-(dimethylcarbamoyloxy)but-2-ynyl-trimethyl-ammonium iodide
IUPAC Name: 4-(dimethylcarbamoyloxy)but-2-ynyl-trimethylazanium iodide
SYSTEMATIC NAME: 4-(dimethylcarbamoyloxy)but-2-ynyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C10H19IN2O2
MOLECULAR WEIGHT: 326.17453
SMILES: CN(C)C(=O)OCC#CC[N+](C)(C)C.[I-]
Structure:
CAS RN: 3854-09-9
CAS Name: 1-[4-(dimethylamino)but-2-ynyl]-1,3,3-trimethylurea; oxalic acid
OPENEYE Name: 1-[4-(dimethylamino)but-2-ynyl]-1,3,3-trimethyl-urea; oxalic acid
IUPAC Name: 1-[4-(dimethylamino)but-2-ynyl]-1,3,3-trimethylurea; oxalic acid
SYSTEMATIC NAME: 1-[4-(dimethylamino)but-2-ynyl]-1,3,3-trimethyl-urea; ethanedioic acid
MOLECULAR FORMULA: C12H21N3O5
MOLECULAR WEIGHT: 287.31224
SMILES: CN(C)CC#CCN(C)C(=O)N(C)C.C(=O)(C(=O)O)O
Structure:
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