CAS RN: 17239-57-5
CAS Name: 1,1,2-tris(diphenylphosphino)-2-methylhydrazine
OPENEYE Name: 1,1,2-tris(diphenylphosphanyl)-2-methyl-hydrazine
IUPAC Name: 1,1,2-tris(diphenylphosphanyl)-2-methylhydrazine
SYSTEMATIC NAME: 1,1,2-tris(diphenylphosphanyl)-2-methyl-diazane
MOLECULAR FORMULA: C37H33N2P3
MOLECULAR WEIGHT: 598.592603
SMILES: CN(N(P(C1=CC=CC=C1)C2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 47866-45-5
CAS Name: [[(amino-chloro-diphenylphosphoranyl)-[(amino-chloro-diphenylphosphoranyl)-methylamino]amino]-phenylphosphinimyl]benzene
OPENEYE Name: [[(amino-chloro-diphenyl-$l^{5}-phosphanyl)-[(amino-chloro-diphenyl-$l^{5}-phosphanyl)-methyl-amino]amino]-phenyl-phosphinimyl]benzene
IUPAC Name: [[(amino-chloro-diphenyl-$l^{5}-phosphanyl)-[(amino-chloro-diphenyl-$l^{5}-phosphanyl)-methylamino]amino]-phenylphosphinimyl]benzene
SYSTEMATIC NAME: [[(azanyl-chloranyl-diphenyl-$l^{5}-phosphanyl)-[(azanyl-chloranyl-diphenyl-$l^{5}-phosphanyl)-methyl-amino]amino]-phenyl-phosphinimyl]benzene
MOLECULAR FORMULA: C37H38Cl2N5P3
MOLECULAR WEIGHT: 716.558403
SMILES: CN(N(P(=N)(C1=CC=CC=C1)C2=CC=CC=C2)P(C3=CC=CC=C3)(C4=CC=CC=C4)(N)Cl)P(C5=CC=CC=C5)(C6=CC=CC=C6)(N)Cl
Structure:
CAS RN: 94545-91-2
CAS Name: 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate
IUPAC Name: dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 3-methyl-5,5-diphenyl-4H-pyrazole-3,4-dicarboxylate
MOLECULAR FORMULA: C20H20N2O4
MOLECULAR WEIGHT: 352.3838
SMILES: CC1(C(C(N=N1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C(=O)OC
Structure:
CAS RN: 21231-49-2
CAS Name: 3-(5-quinolinylamino)-2-indolone
OPENEYE Name: 3-(5-quinolylamino)indol-2-one
IUPAC Name: 3-(quinolin-5-ylamino)indol-2-one
SYSTEMATIC NAME: 3-(quinolin-5-ylamino)indol-2-one
MOLECULAR FORMULA: C17H11N3O
MOLECULAR WEIGHT: 273.28874
SMILES: C1=CC2=C(C(=O)N=C2C=C1)NC3=CC=CC4=C3C=CC=N4
Structure:
CAS RN: 2629-14-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H34O7
MOLECULAR WEIGHT: 470.55466
SMILES: CC1(C(C2(C3CCC4(C(OC(=O)CC4(C3=C)OC2CC1=O)C5=COC=C5)C)C)CC(=O)OC)C
Structure:
CAS RN: 16299-68-6
CAS Name: 1-(4,4a,5,6,7,8-hexahydro-1-benzopyran-8a-yl)-4-phenylpiperazine
OPENEYE Name: 1-(4,4a,5,6,7,8-hexahydrochromen-8a-yl)-4-phenyl-piperazine
IUPAC Name: 1-(4,4a,5,6,7,8-hexahydrochromen-8a-yl)-4-phenylpiperazine
SYSTEMATIC NAME: 1-(4,4a,5,6,7,8-hexahydrochromen-8a-yl)-4-phenyl-piperazine
MOLECULAR FORMULA: C19H26N2O
MOLECULAR WEIGHT: 298.42254
SMILES: C1CCC2(C(C1)CC=CO2)N3CCN(CC3)C4=CC=CC=C4
Structure:
CAS RN: 1239-42-5
CAS Name: 2,3-bis(1-piperidinyl)naphthalene-1,4-dione
OPENEYE Name: 2,3-bis(1-piperidyl)naphthalene-1,4-dione
IUPAC Name: 2,3-di(piperidin-1-yl)naphthalene-1,4-dione
SYSTEMATIC NAME: 2,3-di(piperidin-1-yl)naphthalene-1,4-dione
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCC4
Structure:
CAS RN: 27124-57-8
CAS Name: 4-methylbenzenesulfonic acid [2-(2-methoxyphenyl)cyclohexyl] ester
OPENEYE Name: [2-(2-methoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate
IUPAC Name: [2-(2-methoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2-(2-methoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C20H24O4S
MOLECULAR WEIGHT: 360.46716
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2C3=CC=CC=C3OC
Structure:
CAS RN: 27124-64-7
CAS Name: 4-methylbenzenesulfonic acid [2-(3-methoxyphenyl)cyclohexyl] ester
OPENEYE Name: [2-(3-methoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate
IUPAC Name: [2-(3-methoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2-(3-methoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C20H24O4S
MOLECULAR WEIGHT: 360.46716
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2C3=CC(=CC=C3)OC
Structure:
CAS RN: 13155-12-9
CAS Name: 3-methyl-3-nitropentane-1,5-diamine
OPENEYE Name: 3-methyl-3-nitro-pentane-1,5-diamine
IUPAC Name: 3-methyl-3-nitropentane-1,5-diamine
SYSTEMATIC NAME: 3-methyl-3-nitro-pentane-1,5-diamine
MOLECULAR FORMULA: C6H15N3O2
MOLECULAR WEIGHT: 161.2022
SMILES: CC(CCN)(CCN)[N+](=O)[O-]
Structure:
CAS RN: 971-65-3
CAS Name: cyclohexyl-diphenyl-(1-piperidinyl)boranuide
OPENEYE Name: cyclohexyl-diphenyl-(1-piperidyl)boranuide
IUPAC Name: cyclohexyl-diphenyl-piperidin-1-ylboranuide
SYSTEMATIC NAME: cyclohexyl-diphenyl-piperidin-1-yl-boranuide
MOLECULAR FORMULA: C23H30BN
MOLECULAR WEIGHT: 331.302
SMILES: [B-](C1=CC=CC=C1)(C2=CC=CC=C2)([C+]3CCCCC3)N4CCCCC4
Structure:
CAS RN: 17193-91-8
CAS Name: 3-[[[3-[[2,6-diamino-5-(4-chlorophenyl)-4-pyrimidinyl]methoxy]anilino]-oxomethyl]amino]benzenesulfonyl fluoride
OPENEYE Name: 3-[[3-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride
IUPAC Name: 3-[[3-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride
SYSTEMATIC NAME: 3-[[3-[[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]phenyl]carbamoylamino]benzenesulfonyl fluoride
MOLECULAR FORMULA: C24H20ClFN6O4S
MOLECULAR WEIGHT: 542.969803
SMILES: C1=CC(=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)F
Structure:
CAS RN: 21271-00-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: CC1=CC2C3=CC=CC=C3C1N(C2=O)C
Structure:
CAS RN: 24833-19-0
CAS Name: 2-[2-[(4-methylanilino)-oxomethyl]phenyl]-N-(4-methylphenyl)benzamide
OPENEYE Name: N-(p-tolyl)-2-[2-(p-tolylcarbamoyl)phenyl]benzamide
IUPAC Name: N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoyl]phenyl]benzamide
SYSTEMATIC NAME: N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoyl]phenyl]benzamide
MOLECULAR FORMULA: C28H24N2O2
MOLECULAR WEIGHT: 420.50236
SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C
Structure:
CAS RN: 79005-61-1
CAS Name: 2-[2-[oxo(propan-2-yloxy)methyl]phenyl]benzoic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-(2-isopropoxycarbonylphenyl)benzoate
IUPAC Name: propan-2-yl 2-(2-propan-2-yloxycarbonylphenyl)benzoate
SYSTEMATIC NAME: propan-2-yl 2-(2-propan-2-yloxycarbonylphenyl)benzoate
MOLECULAR FORMULA: C20H22O4
MOLECULAR WEIGHT: 326.38628
SMILES: CC(C)OC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)OC(C)C
Structure:
CAS RN: 4355-31-1
CAS Name: 3-oxabicyclo[3.3.1]nonane-2,4-dione
OPENEYE Name: 3-oxabicyclo[3.3.1]nonane-2,4-dione
IUPAC Name: 3-oxabicyclo[3.3.1]nonane-2,4-dione
SYSTEMATIC NAME: 3-oxabicyclo[3.3.1]nonane-2,4-dione
MOLECULAR FORMULA: C8H10O3
MOLECULAR WEIGHT: 154.1632
SMILES: C1CC2CC(C1)C(=O)OC2=O
Structure:
CAS RN: 40222-77-3
CAS Name: 6-(hydroxymethyl)-3-pyridinol
OPENEYE Name: 6-(hydroxymethyl)pyridin-3-ol
IUPAC Name: 6-(hydroxymethyl)pyridin-3-ol
SYSTEMATIC NAME: 6-(hydroxymethyl)pyridin-3-ol
MOLECULAR FORMULA: C6H7NO2
MOLECULAR WEIGHT: 125.12528
SMILES: C1=CC(=NC=C1O)CO
Structure:
CAS RN: 5122-69-0
CAS Name: 3-(2-chloro-5-oxo-10-phenothiazinyl)propyl-trimethylammonium
OPENEYE Name: 3-(2-chloro-5-oxo-phenothiazin-10-yl)propyl-trimethyl-ammonium
IUPAC Name: 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium
SYSTEMATIC NAME: 3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl-trimethyl-azanium
MOLECULAR FORMULA: C18H22ClN2OS+
MOLECULAR WEIGHT: 349.89808
SMILES: C[N+](C)(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl
Structure:
CAS RN: 13896-20-3
CAS Name: N,1,2-tris(4-methylphenyl)-4,4-diphenyl-3-diazetidinimine
OPENEYE Name: 4,4-diphenyl-N,1,2-tris(p-tolyl)diazetidin-3-imine
IUPAC Name: N,1,2-tris(4-methylphenyl)-4,4-diphenyldiazetidin-3-imine
SYSTEMATIC NAME: N,1,2-tris(4-methylphenyl)-4,4-diphenyl-1,2-diazetidin-3-imine
MOLECULAR FORMULA: C35H31N3
MOLECULAR WEIGHT: 493.64074
SMILES: CC1=CC=C(C=C1)N=C2C(N(N2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 13973-20-1
CAS Name: 1,2-bis(3-methylphenyl)-N-(4-methylphenyl)-4,4-diphenyl-3-diazetidinimine
OPENEYE Name: 1,2-bis(m-tolyl)-4,4-diphenyl-N-(p-tolyl)diazetidin-3-imine
IUPAC Name: 1,2-bis(3-methylphenyl)-N-(4-methylphenyl)-4,4-diphenyldiazetidin-3-imine
SYSTEMATIC NAME: 1,2-bis(3-methylphenyl)-N-(4-methylphenyl)-4,4-diphenyl-1,2-diazetidin-3-imine
MOLECULAR FORMULA: C35H31N3
MOLECULAR WEIGHT: 493.64074
SMILES: CC1=CC=C(C=C1)N=C2C(N(N2C3=CC=CC(=C3)C)C4=CC=CC(=C4)C)(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 13896-19-0
CAS Name: 1,2-bis(4-chlorophenyl)-N-(4-methylphenyl)-4,4-diphenyl-3-diazetidinimine
OPENEYE Name: 1,2-bis(4-chlorophenyl)-4,4-diphenyl-N-(p-tolyl)diazetidin-3-imine
IUPAC Name: 1,2-bis(4-chlorophenyl)-N-(4-methylphenyl)-4,4-diphenyldiazetidin-3-imine
SYSTEMATIC NAME: 1,2-bis(4-chlorophenyl)-N-(4-methylphenyl)-4,4-diphenyl-1,2-diazetidin-3-imine
MOLECULAR FORMULA: C33H25Cl2N3
MOLECULAR WEIGHT: 534.4777
SMILES: CC1=CC=C(C=C1)N=C2C(N(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 13896-17-8
CAS Name: N-(4-methylphenyl)-1,2,4,4-tetraphenyl-3-diazetidinimine
OPENEYE Name: 1,2,4,4-tetraphenyl-N-(p-tolyl)diazetidin-3-imine
IUPAC Name: N-(4-methylphenyl)-1,2,4,4-tetraphenyldiazetidin-3-imine
SYSTEMATIC NAME: N-(4-methylphenyl)-1,2,4,4-tetraphenyl-1,2-diazetidin-3-imine
MOLECULAR FORMULA: C33H27N3
MOLECULAR WEIGHT: 465.58758
SMILES: CC1=CC=C(C=C1)N=C2C(N(N2C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 15523-84-9
CAS Name: 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4-phenylmethoxyaniline
OPENEYE Name: 4-benzyloxy-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]aniline
IUPAC Name: 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4-phenylmethoxyaniline
SYSTEMATIC NAME: 2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4-phenylmethoxy-aniline
MOLECULAR FORMULA: C24H26N2O
MOLECULAR WEIGHT: 358.47604
SMILES: CN1CCC2=CC=CC=C2C1CC3=C(C=CC(=C3)OCC4=CC=CC=C4)N
Structure:
CAS RN: 4944-68-7
CAS Name: 2-(4-bromoanilino)-3-(4-bromophenyl)imino-1,4-diphenylbutane-1,4-dione
OPENEYE Name: 2-(4-bromoanilino)-3-(4-bromophenyl)imino-1,4-diphenyl-butane-1,4-dione
IUPAC Name: 2-(4-bromoanilino)-3-(4-bromophenyl)imino-1,4-diphenylbutane-1,4-dione
SYSTEMATIC NAME: 2-[(4-bromophenyl)amino]-3-(4-bromophenyl)imino-1,4-diphenyl-butane-1,4-dione
MOLECULAR FORMULA: C28H20Br2N2O2
MOLECULAR WEIGHT: 576.2786
SMILES: C1=CC=C(C=C1)C(=O)C(C(=NC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3)NC4=CC=C(C=C4)Br
Structure:
CAS RN: 58976-98-0
CAS Name: acetic acid (5,12-dihydroxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-1-yl) ester
OPENEYE Name: (5,12-dihydroxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-1-yl) acetate
IUPAC Name: (5,12-dihydroxy-6,11-dioxo-1,2,3,4-tetrahydrotetracen-1-yl) acetate
SYSTEMATIC NAME: [5,12-bis(oxidanyl)-6,11-bis(oxidanylidene)-1,2,3,4-tetrahydrotetracen-1-yl] ethanoate
MOLECULAR FORMULA: C20H16O6
MOLECULAR WEIGHT: 352.33744
SMILES: CC(=O)OC1CCCC2=C(C3=C(C(=C12)O)C(=O)C4=CC=CC=C4C3=O)O
Structure:
CAS RN: 20516-12-5
CAS Name: 6,11-dihydroxy-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7,8,9,10-tetrahydrotetracene-5,12-dione
OPENEYE Name: 6,11-dihydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7,8,9,10-tetrahydrotetracene-5,12-dione
IUPAC Name: 6,11-dihydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,9,10-tetrahydrotetracene-5,12-dione
SYSTEMATIC NAME: 7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6,11-bis(oxidanyl)-7,8,9,10-tetrahydrotetracene-5,12-dione
MOLECULAR FORMULA: C24H24O10
MOLECULAR WEIGHT: 472.44136
SMILES: C1CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=CC=CC=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O
Structure:
CAS RN: 19270-43-0
CAS Name: N8,2,3-tris(4-chlorophenyl)pyrido[2,3-b]pyrazine-6,8-diamine
OPENEYE Name: N8,2,3-tris(4-chlorophenyl)pyrido[2,3-b]pyrazine-6,8-diamine
IUPAC Name: 8-N,2,3-tris(4-chlorophenyl)pyrido[2,3-b]pyrazine-6,8-diamine
SYSTEMATIC NAME: N8,2,3-tris(4-chlorophenyl)pyrido[2,3-b]pyrazine-6,8-diamine
MOLECULAR FORMULA: C25H16Cl3N5
MOLECULAR WEIGHT: 492.78704
SMILES: C1=CC(=CC=C1C2=NC3=C(N=C(C=C3NC4=CC=C(C=C4)Cl)N)N=C2C5=CC=C(C=C5)Cl)Cl
Structure:
CAS RN: 23224-08-0
CAS Name: 4-(5,6-dihydroimidazo[2,1-b]thiazol-3-yl)phenol
OPENEYE Name: 4-(5,6-dihydroimidazo[2,1-b]thiazol-3-yl)phenol
IUPAC Name: 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol
SYSTEMATIC NAME: 4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol
MOLECULAR FORMULA: C11H10N2OS
MOLECULAR WEIGHT: 218.2749
SMILES: C1CN2C(=CSC2=N1)C3=CC=C(C=C3)O
Structure:
CAS RN: 5121-06-2
CAS Name: N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine
OPENEYE Name: N'-[3-(dimethylamino)propyl]-N,N,N'-trimethyl-butane-1,4-diamine
IUPAC Name: N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine
SYSTEMATIC NAME: N'-[3-(dimethylamino)propyl]-N,N,N'-trimethyl-butane-1,4-diamine
MOLECULAR FORMULA: C12H29N3
MOLECULAR WEIGHT: 215.37876
SMILES: CN(C)CCCCN(C)CCCN(C)C
Structure:
CAS RN: 1785-45-1
CAS Name: chloro-(cyclopentylthio)mercury
OPENEYE Name: chloro(cyclopentylsulfanyl)mercury
IUPAC Name: chloro(cyclopentylsulfanyl)mercury
SYSTEMATIC NAME: chloranyl(cyclopentylsulfanyl)mercury
MOLECULAR FORMULA: C5H9ClHgS
MOLECULAR WEIGHT: 337.23296
SMILES: C1CCC(C1)S[Hg]Cl
Structure:
CAS RN: 21271-77-2
CAS Name: 2,3-bis(4-chlorophenyl)-N8-[5-(diethylamino)pentan-2-yl]pyrido[2,3-b]pyrazine-6,8-diamine
OPENEYE Name: 2,3-bis(4-chlorophenyl)-N8-[4-(diethylamino)-1-methyl-butyl]pyrido[2,3-b]pyrazine-6,8-diamine
IUPAC Name: 2,3-bis(4-chlorophenyl)-8-N-[5-(diethylamino)pentan-2-yl]pyrido[2,3-b]pyrazine-6,8-diamine
SYSTEMATIC NAME: 2,3-bis(4-chlorophenyl)-N8-[5-(diethylamino)pentan-2-yl]pyrido[2,3-b]pyrazine-6,8-diamine
MOLECULAR FORMULA: C28H32Cl2N6
MOLECULAR WEIGHT: 523.49988
SMILES: CCN(CC)CCCC(C)NC1=CC(=NC2=C1N=C(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)N
Structure:
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