CAS RN: 63931-74-8
CAS Name: 4-(2,6-dimethylphenyl)-1H-1,2,4-benzotriazepin-5-one
OPENEYE Name: 4-(2,6-dimethylphenyl)-1H-1,2,4-benzotriazepin-5-one
IUPAC Name: 4-(2,6-dimethylphenyl)-1H-1,2,4-benzotriazepin-5-one
SYSTEMATIC NAME: 4-(2,6-dimethylphenyl)-1H-1,2,4-benzotriazepin-5-one
MOLECULAR FORMULA: C16H15N3O
MOLECULAR WEIGHT: 265.3098
SMILES: CC1=C(C(=CC=C1)C)N2C=NNC3=CC=CC=C3C2=O
Structure:
CAS RN: 63931-73-7
CAS Name: 4-(2-methylphenyl)-1H-1,2,4-benzotriazepin-5-one
OPENEYE Name: 4-(o-tolyl)-1H-1,2,4-benzotriazepin-5-one
IUPAC Name: 4-(2-methylphenyl)-1H-1,2,4-benzotriazepin-5-one
SYSTEMATIC NAME: 4-(2-methylphenyl)-1H-1,2,4-benzotriazepin-5-one
MOLECULAR FORMULA: C15H13N3O
MOLECULAR WEIGHT: 251.28322
SMILES: CC1=CC=CC=C1N2C=NNC3=CC=CC=C3C2=O
Structure:
CAS RN: 63931-72-6
CAS Name: 7-chloro-4-phenyl-1H-1,2,4-benzotriazepin-5-one
OPENEYE Name: 7-chloro-4-phenyl-1H-1,2,4-benzotriazepin-5-one
IUPAC Name: 7-chloro-4-phenyl-1H-1,2,4-benzotriazepin-5-one
SYSTEMATIC NAME: 7-chloranyl-4-phenyl-1H-1,2,4-benzotriazepin-5-one
MOLECULAR FORMULA: C14H10ClN3O
MOLECULAR WEIGHT: 271.7017
SMILES: C1=CC=C(C=C1)N2C=NNC3=C(C2=O)C=C(C=C3)Cl
Structure:
CAS RN: 63931-71-5
CAS Name: 8-chloro-4-phenyl-1H-1,2,4-benzotriazepin-5-one
OPENEYE Name: 8-chloro-4-phenyl-1H-1,2,4-benzotriazepin-5-one
IUPAC Name: 8-chloro-4-phenyl-1H-1,2,4-benzotriazepin-5-one
SYSTEMATIC NAME: 8-chloranyl-4-phenyl-1H-1,2,4-benzotriazepin-5-one
MOLECULAR FORMULA: C14H10ClN3O
MOLECULAR WEIGHT: 271.7017
SMILES: C1=CC=C(C=C1)N2C=NNC3=C(C2=O)C=CC(=C3)Cl
Structure:
CAS RN: 63931-69-1
CAS Name: 7-methoxy-4-methyl-1H-1,2,4-benzotriazepin-5-one
OPENEYE Name: 7-methoxy-4-methyl-1H-1,2,4-benzotriazepin-5-one
IUPAC Name: 7-methoxy-4-methyl-1H-1,2,4-benzotriazepin-5-one
SYSTEMATIC NAME: 7-methoxy-4-methyl-1H-1,2,4-benzotriazepin-5-one
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: CN1C=NNC2=C(C1=O)C=C(C=C2)OC
Structure:
CAS RN: 63931-67-9
CAS Name: 8-chloro-4-methyl-1H-1,2,4-benzotriazepin-5-one
OPENEYE Name: 8-chloro-4-methyl-1H-1,2,4-benzotriazepin-5-one
IUPAC Name: 8-chloro-4-methyl-1H-1,2,4-benzotriazepin-5-one
SYSTEMATIC NAME: 8-chloranyl-4-methyl-1H-1,2,4-benzotriazepin-5-one
MOLECULAR FORMULA: C9H8ClN3O
MOLECULAR WEIGHT: 209.63232
SMILES: CN1C=NNC2=C(C1=O)C=CC(=C2)Cl
Structure:
CAS RN: 63931-65-7
CAS Name: 4-phenyl-1H-1,2,4-benzotriazepin-5-one
OPENEYE Name: 4-phenyl-1H-1,2,4-benzotriazepin-5-one
IUPAC Name: 4-phenyl-1H-1,2,4-benzotriazepin-5-one
SYSTEMATIC NAME: 4-phenyl-1H-1,2,4-benzotriazepin-5-one
MOLECULAR FORMULA: C14H11N3O
MOLECULAR WEIGHT: 237.25664
SMILES: C1=CC=C(C=C1)N2C=NNC3=CC=CC=C3C2=O
Structure:
CAS RN: 63931-12-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H9N5OS
MOLECULAR WEIGHT: 247.27636
SMILES: CC1=NC2=C(C=C1)SC3=C(NC(=O)N=C3N2)N
Structure:
CAS RN: 63931-09-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H10N6S
MOLECULAR WEIGHT: 246.2916
SMILES: CC1=NC2=C(C=C1)SC3=C(N2)N=C(N=C3N)N
Structure:
CAS RN: 63927-84-4
CAS Name: 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole
OPENEYE Name: 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole
IUPAC Name: 5-(1H-imidazol-2-ylmethyl)-2H-tetrazole
SYSTEMATIC NAME: 5-(1H-imidazol-2-ylmethyl)-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C5H6N6
MOLECULAR WEIGHT: 150.14134
SMILES: C1=CN=C(N1)CC2=NNN=N2
Structure:
CAS RN: 63927-73-1
CAS Name: 5-[(1-methyl-2-imidazolyl)methyl]-2H-tetrazole
OPENEYE Name: 5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole
IUPAC Name: 5-[(1-methylimidazol-2-yl)methyl]-2H-tetrazole
SYSTEMATIC NAME: 5-[(1-methylimidazol-2-yl)methyl]-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C6H8N6
MOLECULAR WEIGHT: 164.16792
SMILES: CN1C=CN=C1CC2=NNN=N2
Structure:
CAS RN: 63925-50-8
CAS Name: 4-[2-[2-phenylethyl(propyl)amino]ethyl]benzene-1,2-diol hydrochloride
OPENEYE Name: 4-[2-[2-phenylethyl(propyl)amino]ethyl]benzene-1,2-diol hydrochloride
IUPAC Name: 4-[2-[2-phenylethyl(propyl)amino]ethyl]benzene-1,2-diol hydrochloride
SYSTEMATIC NAME: 4-[2-[2-phenylethyl(propyl)amino]ethyl]benzene-1,2-diol hydrochloride
MOLECULAR FORMULA: C19H26ClNO2
MOLECULAR WEIGHT: 335.86824
SMILES: CCCN(CCC1=CC=CC=C1)CCC2=CC(=C(C=C2)O)O.Cl
Structure:
CAS RN: 63925-46-2
CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine hydrobromide
OPENEYE Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenyl-ethanamine hydrobromide
IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine hydrobromide
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenyl-ethanamine hydrobromide
MOLECULAR FORMULA: C18H24BrNO2
MOLECULAR WEIGHT: 366.29266
SMILES: COC1=C(C=C(C=C1)CCNCCC2=CC=CC=C2)OC.Br
Structure:
CAS RN: 63919-26-6
CAS Name: carbonic acid (2,6-dinitro-4-octan-3-ylphenyl) methyl ester; carbonic acid (2,6-dinitro-4-octan-4-ylphenyl) methyl ester
OPENEYE Name: [2,6-dinitro-4-(1-propylpentyl)phenyl] methyl carbonate; [4-(1-ethylhexyl)-2,6-dinitro-phenyl] methyl carbonate
IUPAC Name: (2,6-dinitro-4-octan-3-ylphenyl) methyl carbonate; (2,6-dinitro-4-octan-4-ylphenyl) methyl carbonate
SYSTEMATIC NAME: (2,6-dinitro-4-octan-3-yl-phenyl) methyl carbonate; (2,6-dinitro-4-octan-4-yl-phenyl) methyl carbonate
MOLECULAR FORMULA: C32H44N4O14
MOLECULAR WEIGHT: 708.71016
SMILES: CCCCCC(CC)C1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)OC)[N+](=O)[O-].CCCCC(CCC)C1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)OC)[N+](=O)[O-]
Structure:
CAS RN: 63919-21-1
CAS Name: cobalt(3+); iron; nitrilooxonium; pentacyanide
OPENEYE Name: cobaltic; iron; nitridooxonium; pentacyanide
IUPAC Name: azanylidyneoxidanium; cobalt(3+); iron; pentacyanide
SYSTEMATIC NAME: azanylidyneoxidanium; cobalt(3+); iron; pentacyanide
MOLECULAR FORMULA: C5CoFeN6O-
MOLECULAR WEIGHT: 274.8713
SMILES: [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.N#[O+].[Fe].[Co+3]
Structure:
CAS RN: 63919-17-5
CAS Name: ammonia; 2-(phenylmethyl)propanedioate; platinum(2+)
OPENEYE Name: ammonia; 2-benzylpropanedioate; platinum(2+)
IUPAC Name: azane; 2-benzylpropanedioate; platinum(2+)
SYSTEMATIC NAME: azane; 2-(phenylmethyl)propanedioate; platinum(2+)
MOLECULAR FORMULA: C10H14N2O4Pt
MOLECULAR WEIGHT: 421.30716
SMILES: C1=CC=C(C=C1)CC(C(=O)[O-])C(=O)[O-].N.N.[Pt+2]
Structure:
CAS RN: 63919-14-2
CAS Name: 2-hydroxypropanoate; zirconium(3+)
OPENEYE Name: 2-hydroxypropanoate; zirconium(3+)
IUPAC Name: 2-hydroxypropanoate; zirconium(3+)
SYSTEMATIC NAME: 2-oxidanylpropanoate; zirconium(3+)
MOLECULAR FORMULA: C9H15O9Zr
MOLECULAR WEIGHT: 358.434
SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Zr+3]
Structure:
CAS RN: 63918-83-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H17NO4S
MOLECULAR WEIGHT: 391.43968
SMILES: COS(=O)(=O)O.C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=CC=CC=C5C=C4
Structure:
CAS RN: 63918-80-9
CAS Name: 7-(2-chloroethyl)-N,N-dimethyl-7H-phenothiazin-1-amine
OPENEYE Name: 7-(2-chloroethyl)-N,N-dimethyl-7H-phenothiazin-1-amine
IUPAC Name: 7-(2-chloroethyl)-N,N-dimethyl-7H-phenothiazin-1-amine
SYSTEMATIC NAME: 7-(2-chloroethyl)-N,N-dimethyl-7H-phenothiazin-1-amine
MOLECULAR FORMULA: C16H17ClN2S
MOLECULAR WEIGHT: 304.83758
SMILES: CN(C)C1=C2C(=CC=C1)SC3=CC(C=CC3=N2)CCCl
Structure:
CAS RN: 63918-39-8
CAS Name: 2-(1-methyl-1-aziridin-1-iumyl)ethanol; 2,4,6-trinitrobenzenesulfonate
OPENEYE Name: 2-(1-methylaziridin-1-ium-1-yl)ethanol; 2,4,6-trinitrobenzenesulfonate
IUPAC Name: 2-(1-methylaziridin-1-ium-1-yl)ethanol; 2,4,6-trinitrobenzenesulfonate
SYSTEMATIC NAME: 2-(1-methylaziridin-1-ium-1-yl)ethanol; 2,4,6-trinitrobenzenesulfonate
MOLECULAR FORMULA: C11H14N4O10S
MOLECULAR WEIGHT: 394.31466
SMILES: C[N+]1(CC1)CCO.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 63918-32-1
CAS Name: 4-chloro-N-ethyl-2-[2-(phenylmethyl)phenoxy]-1-butanamine hydrochloride
OPENEYE Name: 2-(2-benzylphenoxy)-4-chloro-N-ethyl-butan-1-amine hydrochloride
IUPAC Name: 2-(2-benzylphenoxy)-4-chloro-N-ethylbutan-1-amine hydrochloride
SYSTEMATIC NAME: 4-chloranyl-N-ethyl-2-[2-(phenylmethyl)phenoxy]butan-1-amine hydrochloride
MOLECULAR FORMULA: C19H25Cl2NO
MOLECULAR WEIGHT: 354.3139
SMILES: CCNCC(CCCl)OC1=CC=CC=C1CC2=CC=CC=C2.Cl
Structure:
CAS RN: 63918-26-3
CAS Name: 2-(4-phenyldiazenylphenoxy)-N,N-bis[2-(4-phenyldiazenylphenoxy)ethyl]ethanamine
OPENEYE Name: 2-(4-phenylazophenoxy)-N,N-bis[2-(4-phenylazophenoxy)ethyl]ethanamine
IUPAC Name: 2-(4-phenyldiazenylphenoxy)-N,N-bis[2-(4-phenyldiazenylphenoxy)ethyl]ethanamine
SYSTEMATIC NAME: 2-(4-phenyldiazenylphenoxy)-N,N-bis[2-(4-phenyldiazenylphenoxy)ethyl]ethanamine
MOLECULAR FORMULA: C42H39N7O3
MOLECULAR WEIGHT: 689.80416
SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCN(CCOC3=CC=C(C=C3)N=NC4=CC=CC=C4)CCOC5=CC=C(C=C5)N=NC6=CC=CC=C6
Structure:
CAS RN: 63918-21-8
CAS Name: 4-[2-(methylamino)ethyl]-1-cyclohexanol
OPENEYE Name: 4-[2-(methylamino)ethyl]cyclohexanol
IUPAC Name: 4-[2-(methylamino)ethyl]cyclohexan-1-ol
SYSTEMATIC NAME: 4-[2-(methylamino)ethyl]cyclohexan-1-ol
MOLECULAR FORMULA: C9H19NO
MOLECULAR WEIGHT: 157.25326
SMILES: CNCCC1CCC(CC1)O
Structure:
CAS RN: 63918-02-5
CAS Name: N-(2-chloroethyl)-N-[2-(2-methoxyphenoxy)ethyl]-2-(2-methylphenoxy)ethanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-N-[2-(2-methoxyphenoxy)ethyl]-2-(2-methylphenoxy)ethanamine hydrochloride
IUPAC Name: N-(2-chloroethyl)-N-[2-(2-methoxyphenoxy)ethyl]-2-(2-methylphenoxy)ethanamine hydrochloride
SYSTEMATIC NAME: N-(2-chloroethyl)-N-[2-(2-methoxyphenoxy)ethyl]-2-(2-methylphenoxy)ethanamine hydrochloride
MOLECULAR FORMULA: C20H27Cl2NO3
MOLECULAR WEIGHT: 400.33928
SMILES: CC1=CC=CC=C1OCCN(CCOC2=CC=CC=C2OC)CCCl.Cl
Structure:
CAS RN: 63918-00-3
CAS Name: N-(2-chloroethyl)-N-ethyl-2-phenoxyethanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-N-ethyl-2-phenoxy-ethanamine hydrochloride
IUPAC Name: N-(2-chloroethyl)-N-ethyl-2-phenoxyethanamine hydrochloride
SYSTEMATIC NAME: N-(2-chloroethyl)-N-ethyl-2-phenoxy-ethanamine hydrochloride
MOLECULAR FORMULA: C12H19Cl2NO
MOLECULAR WEIGHT: 264.19136
SMILES: CCN(CCOC1=CC=CC=C1)CCCl.Cl
Structure:
CAS RN: 63917-96-4
CAS Name: N-(2-chloroethyl)-N-ethyl-2-[(2-methylphenyl)thio]ethanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-N-ethyl-2-(o-tolylsulfanyl)ethanamine hydrochloride
IUPAC Name: N-(2-chloroethyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine hydrochloride
SYSTEMATIC NAME: N-(2-chloroethyl)-N-ethyl-2-(2-methylphenyl)sulfanyl-ethanamine hydrochloride
MOLECULAR FORMULA: C13H21Cl2NS
MOLECULAR WEIGHT: 294.28354
SMILES: CCN(CCSC1=CC=CC=C1C)CCCl.Cl
Structure:
CAS RN: 63917-94-2
CAS Name: N-(2-chloroethyl)-N-ethyl-2-(2-methylphenoxy)ethanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-N-ethyl-2-(2-methylphenoxy)ethanamine hydrochloride
IUPAC Name: N-(2-chloroethyl)-N-ethyl-2-(2-methylphenoxy)ethanamine hydrochloride
SYSTEMATIC NAME: N-(2-chloroethyl)-N-ethyl-2-(2-methylphenoxy)ethanamine hydrochloride
MOLECULAR FORMULA: C13H21Cl2NO
MOLECULAR WEIGHT: 278.21794
SMILES: CCN(CCOC1=CC=CC=C1C)CCCl.Cl
Structure:
CAS RN: 63917-87-3
CAS Name: N-(2-chloroethyl)-2-phenoxy-N-(2-phenoxyethyl)ethanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-2-phenoxy-N-(2-phenoxyethyl)ethanamine hydrochloride
IUPAC Name: N-(2-chloroethyl)-2-phenoxy-N-(2-phenoxyethyl)ethanamine hydrochloride
SYSTEMATIC NAME: N-(2-chloroethyl)-2-phenoxy-N-(2-phenoxyethyl)ethanamine hydrochloride
MOLECULAR FORMULA: C18H23Cl2NO2
MOLECULAR WEIGHT: 356.28672
SMILES: C1=CC=C(C=C1)OCCN(CCOC2=CC=CC=C2)CCCl.Cl
Structure:
CAS RN: 63917-55-5
CAS Name: N,N-dimethyl-3-[2-(trifluoromethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl]-1-propanamine dihydrate hydrochloride
OPENEYE Name: N,N-dimethyl-3-[2-(trifluoromethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl]propan-1-amine dihydrate hydrochloride
IUPAC Name: N,N-dimethyl-3-[2-(trifluoromethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl]propan-1-amine dihydrate hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-3-[2-(trifluoromethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazin-11-yl]propan-1-amine dihydrate hydrochloride
MOLECULAR FORMULA: C19H32ClF3N2O2S
MOLECULAR WEIGHT: 444.98279
SMILES: CN(C)CCCN1C2CCCCCC2SC3=C1C=C(C=C3)C(F)(F)F.O.O.Cl
Structure:
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