Thursday, July 21, 2011

http://ChemLookup.com Compounds




CAS RN: 91341-72-9
CAS Name: N-(3-methyl-5-isothiazolyl)-2-(1-piperidinyl)acetamide
OPENEYE Name: N-(3-methylisothiazol-5-yl)-2-(1-piperidyl)acetamide
IUPAC Name: N-(3-methyl-1,2-thiazol-5-yl)-2-piperidin-1-ylacetamide
SYSTEMATIC NAME: N-(3-methyl-1,2-thiazol-5-yl)-2-piperidin-1-yl-ethanamide
MOLECULAR FORMULA: C11H17N3OS
MOLECULAR WEIGHT: 239.33718
SMILES: CC1=NSC(=C1)NC(=O)CN2CCCCC2
Structure:

CAS RN: 97022-74-7
CAS Name: N-(3,4-dimethyl-5-isoxazolyl)-3-methyl-2-(1-piperidinyl)butanamide
OPENEYE Name: N-(3,4-dimethylisoxazol-5-yl)-3-methyl-2-(1-piperidyl)butanamide
IUPAC Name: N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-2-piperidin-1-ylbutanamide
SYSTEMATIC NAME: N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methyl-2-piperidin-1-yl-butanamide
MOLECULAR FORMULA: C15H25N3O2
MOLECULAR WEIGHT: 279.3779
SMILES: CC1=C(ON=C1C)NC(=O)C(C(C)C)N2CCCCC2
Structure:

CAS RN: 93945-40-5
CAS Name: N-(3,4-dimethyl-5-isoxazolyl)-2-(1-piperidinyl)butanamide
OPENEYE Name: N-(3,4-dimethylisoxazol-5-yl)-2-(1-piperidyl)butanamide
IUPAC Name: N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-piperidin-1-ylbutanamide
SYSTEMATIC NAME: N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-piperidin-1-yl-butanamide
MOLECULAR FORMULA: C14H23N3O2
MOLECULAR WEIGHT: 265.35132
SMILES: CCC(C(=O)NC1=C(C(=NO1)C)C)N2CCCCC2
Structure:

CAS RN: 104623-96-3
CAS Name: 4-[16-(4,4-dimethyl-1-piperazin-4-iumyl)hexadecyl]-1,1-dimethylpiperazin-1-ium diiodide
OPENEYE Name: 4-[16-(4,4-dimethylpiperazin-4-ium-1-yl)hexadecyl]-1,1-dimethyl-piperazin-1-ium diiodide
IUPAC Name: 4-[16-(4,4-dimethylpiperazin-4-ium-1-yl)hexadecyl]-1,1-dimethylpiperazin-1-ium diiodide
SYSTEMATIC NAME: 4-[16-(4,4-dimethylpiperazin-4-ium-1-yl)hexadecyl]-1,1-dimethyl-piperazin-1-ium diiodide
MOLECULAR FORMULA: C28H60I2N4
MOLECULAR WEIGHT: 706.61174
SMILES: C[N+]1(CCN(CC1)CCCCCCCCCCCCCCCCN2CC[N+](CC2)(C)C)C.[I-].[I-]
Structure:

CAS RN: 96437-70-6
CAS Name: 11-[1-oxo-2-(1,4,4-trimethyl-1-piperazine-1,4-diiumyl)ethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one diiodide
OPENEYE Name: 11-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one diiodide
IUPAC Name: 11-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one diiodide
SYSTEMATIC NAME: 11-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one diiodide
MOLECULAR FORMULA: C21H27I2N5O2
MOLECULAR WEIGHT: 635.28032
SMILES: C[N+]1(CC[N+](CC1)(C)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4)C.[I-].[I-]
Structure:

CAS RN: 103622-39-5
CAS Name: 4-[10-(4,4-diethyl-1-piperazin-4-iumyl)decyl]-1,1-diethylpiperazin-1-ium diiodide
OPENEYE Name: 4-[10-(4,4-diethylpiperazin-4-ium-1-yl)decyl]-1,1-diethyl-piperazin-1-ium diiodide
IUPAC Name: 4-[10-(4,4-diethylpiperazin-4-ium-1-yl)decyl]-1,1-diethylpiperazin-1-ium diiodide
SYSTEMATIC NAME: 4-[10-(4,4-diethylpiperazin-4-ium-1-yl)decyl]-1,1-diethyl-piperazin-1-ium diiodide
MOLECULAR FORMULA: C26H56I2N4
MOLECULAR WEIGHT: 678.55858
SMILES: CC[N+]1(CCN(CC1)CCCCCCCCCCN2CC[N+](CC2)(CC)CC)CC.[I-].[I-]
Structure:

CAS RN: 103840-81-9
CAS Name: oxalic acid; 1-(2-pyridinyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
OPENEYE Name: oxalic acid; 1-(2-pyridyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
IUPAC Name: oxalic acid; 1-pyridin-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SYSTEMATIC NAME: ethanedioic acid; 1-pyridin-2-yl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
MOLECULAR FORMULA: C23H29N3O11
MOLECULAR WEIGHT: 523.48986
SMILES: COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC=CC=N3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Structure:

CAS RN: 103840-65-9
CAS Name: oxalic acid; 1-(2-pyridinyl)-4-[3-(1-pyrrolidinyl)propyl]piperazine
OPENEYE Name: oxalic acid; 1-(2-pyridyl)-4-(3-pyrrolidin-1-ylpropyl)piperazine
IUPAC Name: oxalic acid; 1-pyridin-2-yl-4-(3-pyrrolidin-1-ylpropyl)piperazine
SYSTEMATIC NAME: ethanedioic acid; 1-pyridin-2-yl-4-(3-pyrrolidin-1-ylpropyl)piperazine
MOLECULAR FORMULA: C22H32N4O12
MOLECULAR WEIGHT: 544.50908
SMILES: C1CCN(C1)CCCN2CCN(CC2)C3=CC=CC=N3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Structure:

CAS RN: 102517-15-7
CAS Name: 3-(4-methyl-1-piperazinyl)propanoic acid (2,6-dimethylphenyl) ester hydrochloride
OPENEYE Name: (2,6-dimethylphenyl) 3-(4-methylpiperazin-1-yl)propanoate hydrochloride
IUPAC Name: (2,6-dimethylphenyl) 3-(4-methylpiperazin-1-yl)propanoate hydrochloride
SYSTEMATIC NAME: (2,6-dimethylphenyl) 3-(4-methylpiperazin-1-yl)propanoate hydrochloride
MOLECULAR FORMULA: C16H25ClN2O2
MOLECULAR WEIGHT: 312.8349
SMILES: CC1=C(C(=CC=C1)C)OC(=O)CCN2CCN(CC2)C.Cl
Structure:

CAS RN: 104373-91-3
CAS Name: (E)-2-butenedioic acid; 3-[4-(2-pyridinyl)-1-piperazinyl]butanoic acid methyl ester
OPENEYE Name: fumaric acid; methyl 3-[4-(2-pyridyl)piperazin-1-yl]butanoate
IUPAC Name: (E)-but-2-enedioic acid; methyl 3-(4-pyridin-2-ylpiperazin-1-yl)butanoate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; methyl 3-(4-pyridin-2-ylpiperazin-1-yl)butanoate
MOLECULAR FORMULA: C22H29N3O10
MOLECULAR WEIGHT: 495.47976
SMILES: CC(N1CCN(CC1)C2=CC=CC=N2)CC(=O)OC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:

CAS RN: 103278-63-3
CAS Name: 2-[(4-methyl-1-piperazinyl)methyl]-3,3-dithiophen-2-yl-2-propenoic acid ethyl ester; 2,4,6-trinitrophenol
OPENEYE Name: ethyl 2-[(4-methylpiperazin-1-yl)methyl]-3,3-bis(2-thienyl)prop-2-enoate; picric acid
IUPAC Name: ethyl 2-[(4-methylpiperazin-1-yl)methyl]-3,3-dithiophen-2-ylprop-2-enoate; 2,4,6-trinitrophenol
SYSTEMATIC NAME: ethyl 2-[(4-methylpiperazin-1-yl)methyl]-3,3-dithiophen-2-yl-prop-2-enoate; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C31H30N8O16S2
MOLECULAR WEIGHT: 834.7439
SMILES: CCOC(=O)C(=C(C1=CC=CS1)C2=CC=CS2)CN3CCN(CC3)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 102517-13-5
CAS Name: benzoic acid [2-[(4-methyl-1-piperazinyl)methyl]-2-phenylbutyl] ester dihydrochloride
OPENEYE Name: [2-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-butyl] benzoate dihydrochloride
IUPAC Name: [2-[(4-methylpiperazin-1-yl)methyl]-2-phenylbutyl] benzoate dihydrochloride
SYSTEMATIC NAME: [2-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-butyl] benzoate dihydrochloride
MOLECULAR FORMULA: C23H32Cl2N2O2
MOLECULAR WEIGHT: 439.41838
SMILES: CCC(CN1CCN(CC1)C)(COC(=O)C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
Structure:

CAS RN: 93665-56-6
CAS Name: (Z)-2-butenedioic acid; 3-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl]-1-piperazinyl]-1-propanol
OPENEYE Name: 3-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl]piperazin-1-yl]propan-1-ol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 3-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl]piperazin-1-yl]propan-1-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-[4-[2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl]piperazin-1-yl]propan-1-ol
MOLECULAR FORMULA: C31H37ClN2O10S
MOLECULAR WEIGHT: 665.15088
SMILES: C1N(CCN(C1)CCOC2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)Cl)CCCO.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:

CAS RN: 103840-63-7
CAS Name: N,N-diethyl-3-[4-(2-pyridinyl)-1-piperazinyl]-1-propanamine; oxalic acid
OPENEYE Name: N,N-diethyl-3-[4-(2-pyridyl)piperazin-1-yl]propan-1-amine; oxalic acid
IUPAC Name: N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine; oxalic acid
SYSTEMATIC NAME: N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine; ethanedioic acid
MOLECULAR FORMULA: C22H34N4O12
MOLECULAR WEIGHT: 546.52496
SMILES: CCN(CC)CCCN1CCN(CC1)C2=CC=CC=N2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
Structure:

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