Wednesday, September 26, 2012

http://ChemLookup.com Compounds




CAS RN: 16676-82-7
CAS Name: 8-amino-4-methyl-2H-phthalazin-1-one
OPENEYE Name: 8-amino-4-methyl-2H-phthalazin-1-one
IUPAC Name: 8-amino-4-methyl-2H-phthalazin-1-one
SYSTEMATIC NAME: 8-azanyl-4-methyl-2H-phthalazin-1-one
MOLECULAR FORMULA: C9H9N3O
MOLECULAR WEIGHT: 175.18726
SMILES: CC1=NNC(=O)C2=C1C=CC=C2N
Structure:

CAS RN: 16676-81-6
CAS Name: 4-methyl-8-nitro-2-(phenylmethyl)-1-phthalazinone
OPENEYE Name: 2-benzyl-4-methyl-8-nitro-phthalazin-1-one
IUPAC Name: 2-benzyl-4-methyl-8-nitrophthalazin-1-one
SYSTEMATIC NAME: 4-methyl-8-nitro-2-(phenylmethyl)phthalazin-1-one
MOLECULAR FORMULA: C16H13N3O3
MOLECULAR WEIGHT: 295.29272
SMILES: CC1=NN(C(=O)C2=C1C=CC=C2[N+](=O)[O-])CC3=CC=CC=C3
Structure:

CAS RN: 16676-80-5
CAS Name: 4-methyl-8-nitro-2-phenyl-1-phthalazinone
OPENEYE Name: 4-methyl-8-nitro-2-phenyl-phthalazin-1-one
IUPAC Name: 4-methyl-8-nitro-2-phenylphthalazin-1-one
SYSTEMATIC NAME: 4-methyl-8-nitro-2-phenyl-phthalazin-1-one
MOLECULAR FORMULA: C15H11N3O3
MOLECULAR WEIGHT: 281.26614
SMILES: CC1=NN(C(=O)C2=C1C=CC=C2[N+](=O)[O-])C3=CC=CC=C3
Structure:

CAS RN: 16676-79-2
CAS Name: 4-methyl-8-nitro-2H-phthalazin-1-one
OPENEYE Name: 4-methyl-8-nitro-2H-phthalazin-1-one
IUPAC Name: 4-methyl-8-nitro-2H-phthalazin-1-one
SYSTEMATIC NAME: 4-methyl-8-nitro-2H-phthalazin-1-one
MOLECULAR FORMULA: C9H7N3O3
MOLECULAR WEIGHT: 205.17018
SMILES: CC1=NNC(=O)C2=C1C=CC=C2[N+](=O)[O-]
Structure:

CAS RN: 16676-42-9
CAS Name: 2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
OPENEYE Name: 2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
IUPAC Name: 2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
SYSTEMATIC NAME: 2,3,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
MOLECULAR FORMULA: C20H23NO3
MOLECULAR WEIGHT: 325.40152
SMILES: COC1=CC2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1
Structure:

CAS RN: 16671-68-4
CAS Name: 4-[2-(6-nitro-1H-benzimidazol-2-yl)ethyl]morpholine
OPENEYE Name: 4-[2-(6-nitro-1H-benzimidazol-2-yl)ethyl]morpholine
IUPAC Name: 4-[2-(6-nitro-1H-benzimidazol-2-yl)ethyl]morpholine
SYSTEMATIC NAME: 4-[2-(6-nitro-1H-benzimidazol-2-yl)ethyl]morpholine
MOLECULAR FORMULA: C13H16N4O3
MOLECULAR WEIGHT: 276.29114
SMILES: C1COCCN1CCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]
Structure:

CAS RN: 16671-67-3
CAS Name: 6-nitro-2-[2-(1-pyrrolidinyl)ethyl]-1H-benzimidazole
OPENEYE Name: 6-nitro-2-(2-pyrrolidin-1-ylethyl)-1H-benzimidazole
IUPAC Name: 6-nitro-2-(2-pyrrolidin-1-ylethyl)-1H-benzimidazole
SYSTEMATIC NAME: 6-nitro-2-(2-pyrrolidin-1-ylethyl)-1H-benzimidazole
MOLECULAR FORMULA: C13H16N4O2
MOLECULAR WEIGHT: 260.29174
SMILES: C1CCN(C1)CCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]
Structure:

CAS RN: 16671-66-2
CAS Name: 6-nitro-2-[2-(1-piperidinyl)ethyl]-1H-benzimidazole
OPENEYE Name: 6-nitro-2-[2-(1-piperidyl)ethyl]-1H-benzimidazole
IUPAC Name: 6-nitro-2-(2-piperidin-1-ylethyl)-1H-benzimidazole
SYSTEMATIC NAME: 6-nitro-2-(2-piperidin-1-ylethyl)-1H-benzimidazole
MOLECULAR FORMULA: C14H18N4O2
MOLECULAR WEIGHT: 274.31832
SMILES: C1CCN(CC1)CCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]
Structure:

CAS RN: 16671-64-0
CAS Name: 4-[2-(1H-benzimidazol-2-yl)ethyl]morpholine
OPENEYE Name: 4-[2-(1H-benzimidazol-2-yl)ethyl]morpholine
IUPAC Name: 4-[2-(1H-benzimidazol-2-yl)ethyl]morpholine
SYSTEMATIC NAME: 4-[2-(1H-benzimidazol-2-yl)ethyl]morpholine
MOLECULAR FORMULA: C13H17N3O
MOLECULAR WEIGHT: 231.29358
SMILES: C1COCCN1CCC2=NC3=CC=CC=C3N2
Structure:

CAS RN: 16671-63-9
CAS Name: 2-[2-(1-pyrrolidinyl)ethyl]-1H-benzimidazole
OPENEYE Name: 2-(2-pyrrolidin-1-ylethyl)-1H-benzimidazole
IUPAC Name: 2-(2-pyrrolidin-1-ylethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-(2-pyrrolidin-1-ylethyl)-1H-benzimidazole
MOLECULAR FORMULA: C13H17N3
MOLECULAR WEIGHT: 215.29418
SMILES: C1CCN(C1)CCC2=NC3=CC=CC=C3N2
Structure:

CAS RN: 16671-35-5
CAS Name: 1-methyl-8-quinolin-1-iumol hydroxide
OPENEYE Name: 1-methylquinolin-1-ium-8-ol hydroxide
IUPAC Name: 1-methylquinolin-1-ium-8-ol hydroxide
SYSTEMATIC NAME: 1-methylquinolin-1-ium-8-ol hydroxide
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C[N+]1=CC=CC2=C1C(=CC=C2)O.[OH-]
Structure:

CAS RN: 16667-82-6
CAS Name: 5-[[bis(2-fluoroethyl)amino]methyl]-1H-pyrimidine-2,4-dione hydrochloride
OPENEYE Name: 5-[[bis(2-fluoroethyl)amino]methyl]-1H-pyrimidine-2,4-dione hydrochloride
IUPAC Name: 5-[[bis(2-fluoroethyl)amino]methyl]-1H-pyrimidine-2,4-dione hydrochloride
SYSTEMATIC NAME: 5-[[bis(2-fluoranylethyl)amino]methyl]-1H-pyrimidine-2,4-dione hydrochloride
MOLECULAR FORMULA: C9H14ClF2N3O2
MOLECULAR WEIGHT: 269.676166
SMILES: C1=C(C(=O)NC(=O)N1)CN(CCF)CCF.Cl
Structure:

CAS RN: 16662-42-3
CAS Name: N-(2-chloroethyl)-2-methyl-N-[(6-methyl-1-benzothiophen-3-yl)methyl]-2-propanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-2-methyl-N-[(6-methylbenzothiophen-3-yl)methyl]propan-2-amine hydrochloride
IUPAC Name: N-(2-chloroethyl)-2-methyl-N-[(6-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine hydrochloride
SYSTEMATIC NAME: N-(2-chloroethyl)-2-methyl-N-[(6-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine hydrochloride
MOLECULAR FORMULA: C16H23Cl2NS
MOLECULAR WEIGHT: 332.33152
SMILES: CC1=CC2=C(C=C1)C(=CS2)CN(CCCl)C(C)(C)C.Cl
Structure:

CAS RN: 16662-27-4
CAS Name: N-(2-chloroethyl)-N-[(6-methyl-1-benzothiophen-3-yl)methyl]-2-propanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-N-[(6-methylbenzothiophen-3-yl)methyl]propan-2-amine hydrochloride
IUPAC Name: N-(2-chloroethyl)-N-[(6-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine hydrochloride
SYSTEMATIC NAME: N-(2-chloroethyl)-N-[(6-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine hydrochloride
MOLECULAR FORMULA: C15H21Cl2NS
MOLECULAR WEIGHT: 318.30494
SMILES: CC1=CC2=C(C=C1)C(=CS2)CN(CCCl)C(C)C.Cl
Structure:

CAS RN: 16662-26-3
CAS Name: 2-chloro-N-ethyl-N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine hydrochloride
OPENEYE Name: 2-chloro-N-ethyl-N-[(6-methylbenzothiophen-3-yl)methyl]ethanamine hydrochloride
IUPAC Name: 2-chloro-N-ethyl-N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-N-ethyl-N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine hydrochloride
MOLECULAR FORMULA: C14H19Cl2NS
MOLECULAR WEIGHT: 304.27836
SMILES: CCN(CCCl)CC1=CSC2=C1C=CC(=C2)C.Cl
Structure:

CAS RN: 16662-25-2
CAS Name: 2-chloro-N-[(5-methyl-1-benzothiophen-3-yl)methyl]-N-(phenylmethyl)ethanamine hydrochloride
OPENEYE Name: N-benzyl-2-chloro-N-[(5-methylbenzothiophen-3-yl)methyl]ethanamine hydrochloride
IUPAC Name: N-benzyl-2-chloro-N-[(5-methyl-1-benzothiophen-3-yl)methyl]ethanamine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-N-[(5-methyl-1-benzothiophen-3-yl)methyl]-N-(phenylmethyl)ethanamine hydrochloride
MOLECULAR FORMULA: C19H21Cl2NS
MOLECULAR WEIGHT: 366.34774
SMILES: CC1=CC2=C(C=C1)SC=C2CN(CCCl)CC3=CC=CC=C3.Cl
Structure:

CAS RN: 16662-24-1
CAS Name: N-(2-chloroethyl)-2-methyl-N-[(5-methyl-1-benzothiophen-3-yl)methyl]-2-propanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-2-methyl-N-[(5-methylbenzothiophen-3-yl)methyl]propan-2-amine hydrochloride
IUPAC Name: N-(2-chloroethyl)-2-methyl-N-[(5-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine hydrochloride
SYSTEMATIC NAME: N-(2-chloroethyl)-2-methyl-N-[(5-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine hydrochloride
MOLECULAR FORMULA: C16H23Cl2NS
MOLECULAR WEIGHT: 332.33152
SMILES: CC1=CC2=C(C=C1)SC=C2CN(CCCl)C(C)(C)C.Cl
Structure:

CAS RN: 16662-23-0
CAS Name: N-(2-chloroethyl)-N-[(5-methyl-1-benzothiophen-3-yl)methyl]-2-propanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-N-[(5-methylbenzothiophen-3-yl)methyl]propan-2-amine hydrochloride
IUPAC Name: N-(2-chloroethyl)-N-[(5-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine hydrochloride
SYSTEMATIC NAME: N-(2-chloroethyl)-N-[(5-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine hydrochloride
MOLECULAR FORMULA: C15H21Cl2NS
MOLECULAR WEIGHT: 318.30494
SMILES: CC1=CC2=C(C=C1)SC=C2CN(CCCl)C(C)C.Cl
Structure:

CAS RN: 16662-22-9
CAS Name: N-(1-benzothiophen-3-ylmethyl)-2-chloro-N-(phenylmethyl)ethanamine hydrochloride
OPENEYE Name: N-(benzothiophen-3-ylmethyl)-N-benzyl-2-chloro-ethanamine hydrochloride
IUPAC Name: N-(1-benzothiophen-3-ylmethyl)-N-benzyl-2-chloroethanamine hydrochloride
SYSTEMATIC NAME: N-(1-benzothiophen-3-ylmethyl)-2-chloranyl-N-(phenylmethyl)ethanamine hydrochloride
MOLECULAR FORMULA: C18H19Cl2NS
MOLECULAR WEIGHT: 352.32116
SMILES: C1=CC=C(C=C1)CN(CCCl)CC2=CSC3=CC=CC=C32.Cl
Structure:

CAS RN: 16662-21-8
CAS Name: N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)-2-methyl-2-propanamine hydrochloride
OPENEYE Name: N-(benzothiophen-3-ylmethyl)-N-(2-chloroethyl)-2-methyl-propan-2-amine hydrochloride
IUPAC Name: N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)-2-methylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)-2-methyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C15H21Cl2NS
MOLECULAR WEIGHT: 318.30494
SMILES: CC(C)(C)N(CCCl)CC1=CSC2=CC=CC=C21.Cl
Structure:

CAS RN: 16662-20-7
CAS Name: N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)-1-butanamine hydrochloride
OPENEYE Name: N-(benzothiophen-3-ylmethyl)-N-(2-chloroethyl)butan-1-amine hydrochloride
IUPAC Name: N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)butan-1-amine hydrochloride
SYSTEMATIC NAME: N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)butan-1-amine hydrochloride
MOLECULAR FORMULA: C15H21Cl2NS
MOLECULAR WEIGHT: 318.30494
SMILES: CCCCN(CCCl)CC1=CSC2=CC=CC=C21.Cl
Structure:

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