CAS RN: 13666-69-8
CAS Name: 6-chloro-3-[5-(4-phenyl-1-piperazinyl)pentyl]-1H-quinazoline-2,4-dione dihydrochloride
OPENEYE Name: 6-chloro-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-quinazoline-2,4-dione dihydrochloride
IUPAC Name: 6-chloro-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-quinazoline-2,4-dione dihydrochloride
SYSTEMATIC NAME: 6-chloranyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-quinazoline-2,4-dione dihydrochloride
MOLECULAR FORMULA: C23H29Cl3N4O2
MOLECULAR WEIGHT: 499.86096
SMILES: C1CN(CCN1CCCCCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 13662-06-1
CAS Name: 1-(2-naphthalenyloxy)-2-propanone
OPENEYE Name: 1-(2-naphthyloxy)propan-2-one
IUPAC Name: 1-naphthalen-2-yloxypropan-2-one
SYSTEMATIC NAME: 1-naphthalen-2-yloxypropan-2-one
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: CC(=O)COC1=CC2=CC=CC=C2C=C1
Structure:
CAS RN: 13657-38-0
CAS Name: 3,3-diphenyl-N,N-dipropyl-1-propanamine hydrochloride
OPENEYE Name: 3,3-diphenyl-N,N-dipropyl-propan-1-amine hydrochloride
IUPAC Name: 3,3-diphenyl-N,N-dipropylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3,3-diphenyl-N,N-dipropyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C21H30ClN
MOLECULAR WEIGHT: 331.9226
SMILES: CCCN(CCC)CCC(C1=CC=CC=C1)C2=CC=CC=C2.Cl
Structure:
CAS RN: 13657-37-9
CAS Name: N-butyl-N-(3,3-diphenylpropyl)-1-butanamine hydrochloride
OPENEYE Name: N-butyl-N-(3,3-diphenylpropyl)butan-1-amine hydrochloride
IUPAC Name: N-butyl-N-(3,3-diphenylpropyl)butan-1-amine hydrochloride
SYSTEMATIC NAME: N-butyl-N-(3,3-diphenylpropyl)butan-1-amine hydrochloride
MOLECULAR FORMULA: C23H34ClN
MOLECULAR WEIGHT: 359.97576
SMILES: CCCCN(CCCC)CCC(C1=CC=CC=C1)C2=CC=CC=C2.Cl
Structure:
CAS RN: 13645-74-4
CAS Name: 4,5-dibromo-2-methyl-3-pyridazinone
OPENEYE Name: 4,5-dibromo-2-methyl-pyridazin-3-one
IUPAC Name: 4,5-dibromo-2-methylpyridazin-3-one
SYSTEMATIC NAME: 4,5-bis(bromanyl)-2-methyl-pyridazin-3-one
MOLECULAR FORMULA: C5H4Br2N2O
MOLECULAR WEIGHT: 267.90606
SMILES: CN1C(=O)C(=C(C=N1)Br)Br
Structure:
CAS RN: 13644-14-9
CAS Name: 5-(4-nitrophenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(4-nitrophenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(4-nitrophenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-(4-nitrophenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C12H16N2O6Si
MOLECULAR WEIGHT: 312.35074
SMILES: C1CO[Si]2(OCCN1CCO2)OC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 13644-11-6
CAS Name: 5-(4-chlorophenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(4-chlorophenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(4-chlorophenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-(4-chloranylphenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C12H16ClNO4Si
MOLECULAR WEIGHT: 301.79824
SMILES: C1CO[Si]2(OCCN1CCO2)OC3=CC=C(C=C3)Cl
Structure:
CAS RN: 13644-10-5
CAS Name: 5-(5-methyl-2-propan-2-ylphenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(2-isopropyl-5-methyl-phenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(5-methyl-2-propan-2-ylphenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-(5-methyl-2-propan-2-yl-phenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C16H25NO4Si
MOLECULAR WEIGHT: 323.4595
SMILES: CC1=CC(=C(C=C1)C(C)C)O[Si]23OCCN(CCO2)CCO3
Structure:
CAS RN: 13644-08-1
CAS Name: 5-(4-methylphenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(4-methylphenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(4-methylphenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-(4-methylphenoxy)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C13H19NO4Si
MOLECULAR WEIGHT: 281.37976
SMILES: CC1=CC=C(C=C1)O[Si]23OCCN(CCO2)CCO3
Structure:
CAS RN: 13642-29-0
CAS Name: 2-[(1-methyl-4-pyridin-1-iumyl)methyl]-1-cyclohexanone iodide
OPENEYE Name: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclohexanone iodide
IUPAC Name: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclohexan-1-one iodide
SYSTEMATIC NAME: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclohexan-1-one iodide
MOLECULAR FORMULA: C13H18INO
MOLECULAR WEIGHT: 331.19259
SMILES: C[N+]1=CC=C(C=C1)CC2CCCCC2=O.[I-]
Structure:
CAS RN: 13640-55-6
CAS Name: 2-(2-pyridinylmethyl)-1-cyclopentanone
OPENEYE Name: 2-(2-pyridylmethyl)cyclopentanone
IUPAC Name: 2-(pyridin-2-ylmethyl)cyclopentan-1-one
SYSTEMATIC NAME: 2-(pyridin-2-ylmethyl)cyclopentan-1-one
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: C1CC(C(=O)C1)CC2=CC=CC=N2
Structure:
CAS RN: 13640-54-5
CAS Name: 2-[(1-methyl-4-pyridin-1-iumyl)methyl]-1-cyclopentanone iodide
OPENEYE Name: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclopentanone iodide
IUPAC Name: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclopentan-1-one iodide
SYSTEMATIC NAME: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclopentan-1-one iodide
MOLECULAR FORMULA: C12H16INO
MOLECULAR WEIGHT: 317.16601
SMILES: C[N+]1=CC=C(C=C1)CC2CCCC2=O.[I-]
Structure:
CAS RN: 13640-53-4
CAS Name: 2-(pyridin-4-ylmethyl)-1-cyclopentanone
OPENEYE Name: 2-(4-pyridylmethyl)cyclopentanone
IUPAC Name: 2-(pyridin-4-ylmethyl)cyclopentan-1-one
SYSTEMATIC NAME: 2-(pyridin-4-ylmethyl)cyclopentan-1-one
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: C1CC(C(=O)C1)CC2=CC=NC=C2
Structure:
CAS RN: 13640-52-3
CAS Name: 2-(3-pyridinylmethyl)-1-cyclopentanone
OPENEYE Name: 2-(3-pyridylmethyl)cyclopentanone
IUPAC Name: 2-(pyridin-3-ylmethyl)cyclopentan-1-one
SYSTEMATIC NAME: 2-(pyridin-3-ylmethyl)cyclopentan-1-one
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: C1CC(C(=O)C1)CC2=CN=CC=C2
Structure:
CAS RN: 13640-47-6
CAS Name: 2-methoxy-5,6,6a,7,7a,8,9,10,11,12a-decahydronaphtho[2,1-b]indolizine hydrochloride
OPENEYE Name: 2-methoxy-5,6,6a,7,7a,8,9,10,11,12a-decahydronaphtho[2,1-b]indolizine hydrochloride
IUPAC Name: 2-methoxy-5,6,6a,7,7a,8,9,10,11,12a-decahydronaphtho[2,1-b]indolizine hydrochloride
SYSTEMATIC NAME: 2-methoxy-5,6,6a,7,7a,8,9,10,11,12a-decahydronaphtho[2,1-b]indolizine hydrochloride
MOLECULAR FORMULA: C17H24ClNO
MOLECULAR WEIGHT: 293.83156
SMILES: COC1=CC2=C(CCC3C2N4CCCCC4C3)C=C1.Cl
Structure:
CAS RN: 13637-49-5
CAS Name: 6-methoxy-3-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
OPENEYE Name: 6-methoxy-3-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
IUPAC Name: 6-methoxy-3-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
SYSTEMATIC NAME: 6-methoxy-3-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
MOLECULAR FORMULA: C19H21ClN2O
MOLECULAR WEIGHT: 328.83584
SMILES: CC1CC2=C(C(N1)C3=CC=CC=C3)NC4=C2C=C(C=C4)OC.Cl
Structure:
CAS RN: 13616-58-5
CAS Name: 3-[1-(4-fluorophenyl)-3,3-dimethyl-1-isobenzofuranyl]-N-methyl-1-propanamine hydrochloride
OPENEYE Name: 3-[1-(4-fluorophenyl)-3,3-dimethyl-isobenzofuran-1-yl]-N-methyl-propan-1-amine hydrochloride
IUPAC Name: 3-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzofuran-1-yl]-N-methylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzofuran-1-yl]-N-methyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C20H25ClFNO
MOLECULAR WEIGHT: 349.870003
SMILES: CC1(C2=CC=CC=C2C(O1)(CCCNC)C3=CC=C(C=C3)F)C.Cl
Structure:
CAS RN: 13616-55-2
CAS Name: 3-[1-(4-fluorophenyl)-3,3-dimethyl-1-isobenzofuranyl]-N,N-dimethyl-1-propanamine hydrochloride
OPENEYE Name: 3-[1-(4-fluorophenyl)-3,3-dimethyl-isobenzofuran-1-yl]-N,N-dimethyl-propan-1-amine hydrochloride
IUPAC Name: 3-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3-[1-(4-fluorophenyl)-3,3-dimethyl-2-benzofuran-1-yl]-N,N-dimethyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C21H27ClFNO
MOLECULAR WEIGHT: 363.896583
SMILES: CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C3=CC=C(C=C3)F)C.Cl
Structure:
CAS RN: 13614-25-0
CAS Name: 5-(4-chlorobutyl)-4-methylthiazole; ethane-1,2-disulfonic acid
OPENEYE Name: 5-(4-chlorobutyl)-4-methyl-thiazole; ethane-1,2-disulfonic acid
IUPAC Name: 5-(4-chlorobutyl)-4-methyl-1,3-thiazole; ethane-1,2-disulfonic acid
SYSTEMATIC NAME: 5-(4-chloranylbutyl)-4-methyl-1,3-thiazole; ethane-1,2-disulfonic acid
MOLECULAR FORMULA: C10H18ClNO6S3
MOLECULAR WEIGHT: 379.90102
SMILES: CC1=C(SC=N1)CCCCCl.C(CS(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 13614-24-9
CAS Name: 5-(3-chloropropyl)-4-methylthiazole; ethane-1,2-disulfonic acid
OPENEYE Name: 5-(3-chloropropyl)-4-methyl-thiazole; ethane-1,2-disulfonic acid
IUPAC Name: 5-(3-chloropropyl)-4-methyl-1,3-thiazole; ethane-1,2-disulfonic acid
SYSTEMATIC NAME: 5-(3-chloranylpropyl)-4-methyl-1,3-thiazole; ethane-1,2-disulfonic acid
MOLECULAR FORMULA: C9H16ClNO6S3
MOLECULAR WEIGHT: 365.87444
SMILES: CC1=C(SC=N1)CCCCl.C(CS(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 13614-23-8
CAS Name: 5-(chloromethyl)-4-methylthiazole; ethane-1,2-disulfonic acid
OPENEYE Name: 5-(chloromethyl)-4-methyl-thiazole; ethane-1,2-disulfonic acid
IUPAC Name: 5-(chloromethyl)-4-methyl-1,3-thiazole; ethane-1,2-disulfonic acid
SYSTEMATIC NAME: 5-(chloromethyl)-4-methyl-1,3-thiazole; ethane-1,2-disulfonic acid
MOLECULAR FORMULA: C7H12ClNO6S3
MOLECULAR WEIGHT: 337.82128
SMILES: CC1=C(SC=N1)CCl.C(CS(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 13613-88-2
CAS Name: 2-[2-(diethylamino)ethyl]-2',6'-dimethylspiro[isoquinoline-4,4'-oxane]-1,3-dione; phosphoric acid
OPENEYE Name: 2-[2-(diethylamino)ethyl]-2',6'-dimethyl-spiro[isoquinoline-4,4'-tetrahydropyran]-1,3-dione; phosphoric acid
IUPAC Name: 2-[2-(diethylamino)ethyl]-2',6'-dimethylspiro[isoquinoline-4,4'-oxane]-1,3-dione; phosphoric acid
SYSTEMATIC NAME: 2-[2-(diethylamino)ethyl]-2',6'-dimethyl-spiro[isoquinoline-4,4'-oxane]-1,3-dione; phosphoric acid
MOLECULAR FORMULA: C21H33N2O7P
MOLECULAR WEIGHT: 456.469681
SMILES: CCN(CC)CCN1C(=O)C2=CC=CC=C2C3(C1=O)CC(OC(C3)C)C.OP(=O)(O)O
Structure:
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