Friday, March 2, 2012

http://ChemLookup.com Compounds




CAS RN: 176721-41-8
CAS Name: (2S)-1-(7-ethoxy-4H-indeno[1,2-c]pyrazol-1-yl)-2-propanamine
OPENEYE Name: (2S)-1-(7-ethoxy-4H-indeno[1,2-c]pyrazol-1-yl)propan-2-amine
IUPAC Name: (2S)-1-(7-ethoxy-4H-indeno[1,2-c]pyrazol-1-yl)propan-2-amine
SYSTEMATIC NAME: (2S)-1-(7-ethoxy-4H-indeno[1,2-c]pyrazol-1-yl)propan-2-amine
MOLECULAR FORMULA: C15H19N3O
MOLECULAR WEIGHT: 257.33086
SMILES: CCOC1=CC2=C(CC3=C2N(N=C3)C[C@H](C)N)C=C1
Structure:

CAS RN: 58395-74-7
CAS Name: 1-[(2,6-dimethoxyphenyl)methyl]piperidine; 2,4,6-trinitrophenol
OPENEYE Name: 1-[(2,6-dimethoxyphenyl)methyl]piperidine; picric acid
IUPAC Name: 1-[(2,6-dimethoxyphenyl)methyl]piperidine; 2,4,6-trinitrophenol
SYSTEMATIC NAME: 1-[(2,6-dimethoxyphenyl)methyl]piperidine; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C20H24N4O9
MOLECULAR WEIGHT: 464.42596
SMILES: COC1=C(C(=CC=C1)OC)CN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 58357-75-8
CAS Name: calcium 2,5-bis[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]benzenesulfonate
OPENEYE Name: calcium 2,5-bis[[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy]benzenesulfonate
IUPAC Name: calcium 2,5-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]benzenesulfonate
SYSTEMATIC NAME: calcium 2,5-bis[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy]benzenesulfonate
MOLECULAR FORMULA: C52H46CaCl4O18S2
MOLECULAR WEIGHT: 1204.93084
SMILES: CC(C)(C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)S(=O)(=O)[O-])OC3=CC=C(C=C3)Cl.CC(C)(C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)S(=O)(=O)[O-])OC3=CC=C(C=C3)Cl.[Ca+2]
Structure:

CAS RN: 58357-73-6
CAS Name: 2,5-bis[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]benzenesulfonic acid; piperazine
OPENEYE Name: 2,5-bis[[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy]benzenesulfonic acid; piperazine
IUPAC Name: 2,5-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]benzenesulfonic acid; piperazine
SYSTEMATIC NAME: 2,5-bis[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy]benzenesulfonic acid; piperazine
MOLECULAR FORMULA: C30H34Cl2N2O9S
MOLECULAR WEIGHT: 669.56996
SMILES: CC(C)(C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)S(=O)(=O)O)OC3=CC=C(C=C3)Cl.C1CNCCN1
Structure:

CAS RN: 58357-70-3
CAS Name: 5-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]-2-hydroxybenzenesulfonic acid; piperazine
OPENEYE Name: 5-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-2-hydroxy-benzenesulfonic acid; piperazine
IUPAC Name: 5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid; piperazine
SYSTEMATIC NAME: 5-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy-2-oxidanyl-benzenesulfonic acid; piperazine
MOLECULAR FORMULA: C36H40Cl2N2O14S2
MOLECULAR WEIGHT: 859.7438
SMILES: CC(C)(C(=O)OC1=CC(=C(C=C1)O)S(=O)(=O)O)OC2=CC=C(C=C2)Cl.CC(C)(C(=O)OC1=CC(=C(C=C1)O)S(=O)(=O)O)OC2=CC=C(C=C2)Cl.C1CNCCN1
Structure:

CAS RN: 58357-69-0
CAS Name: 5-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]-2-hydroxybenzenesulfonic acid; piperazine
OPENEYE Name: 5-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-2-hydroxy-benzenesulfonic acid; piperazine
IUPAC Name: 5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid; piperazine
SYSTEMATIC NAME: 5-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy-2-oxidanyl-benzenesulfonic acid; piperazine
MOLECULAR FORMULA: C20H25ClN2O7S
MOLECULAR WEIGHT: 472.9397
SMILES: CC(C)(C(=O)OC1=CC(=C(C=C1)O)S(=O)(=O)O)OC2=CC=C(C=C2)Cl.C1CNCCN1
Structure:

CAS RN: 58350-26-8
CAS Name: 2-(2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepin-3-yl)-1-phenylethanol dihydrochloride
OPENEYE Name: 2-(2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepin-3-yl)-1-phenyl-ethanol dihydrochloride
IUPAC Name: 2-(2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepin-3-yl)-1-phenylethanol dihydrochloride
SYSTEMATIC NAME: 2-(2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepin-3-yl)-1-phenyl-ethanol dihydrochloride
MOLECULAR FORMULA: C21H28Cl2N2O
MOLECULAR WEIGHT: 395.36582
SMILES: C1CC2=CC=CC=C2CN3C1CN(CC3)CC(C4=CC=CC=C4)O.Cl.Cl
Structure:

CAS RN: 58350-25-7
CAS Name: 3-(2-phenylethyl)-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine dihydrochloride
OPENEYE Name: 3-(2-phenylethyl)-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine dihydrochloride
IUPAC Name: 3-(2-phenylethyl)-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine dihydrochloride
SYSTEMATIC NAME: 3-(2-phenylethyl)-2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepine dihydrochloride
MOLECULAR FORMULA: C21H28Cl2N2
MOLECULAR WEIGHT: 379.36642
SMILES: C1CC2=CC=CC=C2CN3C1CN(CC3)CCC4=CC=CC=C4.Cl.Cl
Structure:

CAS RN: 58350-24-6
CAS Name: 4-(2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepin-3-yl)-1-(4-fluorophenyl)-1-butanone dihydrochloride
OPENEYE Name: 4-(2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepin-3-yl)-1-(4-fluorophenyl)butan-1-one dihydrochloride
IUPAC Name: 4-(2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepin-3-yl)-1-(4-fluorophenyl)butan-1-one dihydrochloride
SYSTEMATIC NAME: 4-(2,4,4a,5,6,11-hexahydro-1H-pyrazino[1,2-b][2]benzazepin-3-yl)-1-(4-fluorophenyl)butan-1-one dihydrochloride
MOLECULAR FORMULA: C23H29Cl2FN2O
MOLECULAR WEIGHT: 439.393563
SMILES: C1CC2=CC=CC=C2CN3C1CN(CC3)CCCC(=O)C4=CC=C(C=C4)F.Cl.Cl
Structure:

CAS RN: 58350-14-4
CAS Name: 2-(2-phenylethyl)-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine dihydrochloride
OPENEYE Name: 2-(2-phenylethyl)-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine dihydrochloride
IUPAC Name: 2-(2-phenylethyl)-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine dihydrochloride
SYSTEMATIC NAME: 2-(2-phenylethyl)-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine dihydrochloride
MOLECULAR FORMULA: C21H28Cl2N2
MOLECULAR WEIGHT: 379.36642
SMILES: C1CN2CCN(CC2CC3=CC=CC=C31)CCC4=CC=CC=C4.Cl.Cl
Structure:

CAS RN: 58350-13-3
CAS Name: 4-(3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-2-yl)-1-(4-fluorophenyl)-1-butanone dihydrochloride
OPENEYE Name: 4-(3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-2-yl)-1-(4-fluorophenyl)butan-1-one dihydrochloride
IUPAC Name: 4-(3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-2-yl)-1-(4-fluorophenyl)butan-1-one dihydrochloride
SYSTEMATIC NAME: 4-(3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepin-2-yl)-1-(4-fluorophenyl)butan-1-one dihydrochloride
MOLECULAR FORMULA: C23H29Cl2FN2O
MOLECULAR WEIGHT: 439.393563
SMILES: C1CN2CCN(CC2CC3=CC=CC=C31)CCCC(=O)C4=CC=C(C=C4)F.Cl.Cl
Structure:

CAS RN: 58350-08-6
CAS Name: (4E)-4-(nitromethylidene)-1,2,3,5-tetrahydro-3-benzazepine
OPENEYE Name: (4E)-4-(nitromethylene)-1,2,3,5-tetrahydro-3-benzazepine
IUPAC Name: (4E)-4-(nitromethylidene)-1,2,3,5-tetrahydro-3-benzazepine
SYSTEMATIC NAME: (4E)-4-(nitromethylidene)-1,2,3,5-tetrahydro-3-benzazepine
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: C1CN/C(=C/[N+](=O)[O-])/CC2=CC=CC=C21
Structure:

CAS RN: 58333-84-9
CAS Name: 5-butyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-2-thiazolecarboxamide dihydrochloride
OPENEYE Name: 5-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiazole-2-carboxamide dihydrochloride
IUPAC Name: 5-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-thiazole-2-carboxamide dihydrochloride
SYSTEMATIC NAME: 5-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-thiazole-2-carboxamide dihydrochloride
MOLECULAR FORMULA: C23H36Cl2N4O2S
MOLECULAR WEIGHT: 503.52854
SMILES: CCCCC1=CN=C(S1)C(=O)NCCCCN2CCN(CC2)C3=CC=CC=C3OC.Cl.Cl
Structure:

CAS RN: 58333-80-5
CAS Name: 5-butyl-N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-2-thiazolecarboxamide hydrochloride
OPENEYE Name: 5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiazole-2-carboxamide hydrochloride
IUPAC Name: 5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide hydrochloride
SYSTEMATIC NAME: 5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide hydrochloride
MOLECULAR FORMULA: C21H31ClN4O2S
MOLECULAR WEIGHT: 439.01444
SMILES: CCCCC1=CN=C(S1)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3OC.Cl
Structure:

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