CAS RN: 886-90-8
CAS Name: 6,6,8,8-tetramethyl-9-oxa-6-azoniaspiro[4.4]nonane
OPENEYE Name: 6,6,8,8-tetramethyl-9-oxa-6-azoniaspiro[4.4]nonane
IUPAC Name: 6,6,8,8-tetramethyl-9-oxa-6-azoniaspiro[4.4]nonane
SYSTEMATIC NAME: 6,6,8,8-tetramethyl-9-oxa-6-azoniaspiro[4.4]nonane
MOLECULAR FORMULA: C11H22NO+
MOLECULAR WEIGHT: 184.29848
SMILES: CC1(C[N+](C2(O1)CCCC2)(C)C)C
Structure:
CAS RN: 18228-90-5
CAS Name: 2-chloro-N-(2-chloroethyl)-N-[phenylmethoxy-[4-(phenylmethyl)-1-piperazinyl]phosphoryl]ethanamine
OPENEYE Name: N-[benzyloxy-(4-benzylpiperazin-1-yl)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
IUPAC Name: N-[(4-benzylpiperazin-1-yl)-phenylmethoxyphosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-[phenylmethoxy-[4-(phenylmethyl)piperazin-1-yl]phosphoryl]ethanamine
MOLECULAR FORMULA: C22H30Cl2N3O2P
MOLECULAR WEIGHT: 470.372261
SMILES: C1CN(CCN1CC2=CC=CC=C2)P(=O)(N(CCCl)CCCl)OCC3=CC=CC=C3
Structure:
CAS RN: 14190-17-1
CAS Name: acetic acid; diphenyliodonium
OPENEYE Name: acetic acid; diphenyliodonium
IUPAC Name: acetic acid; diphenyliodanium
SYSTEMATIC NAME: diphenyliodanium; ethanoic acid
MOLECULAR FORMULA: C14H14IO2+
MOLECULAR WEIGHT: 341.16423
SMILES: CC(=O)O.C1=CC=C(C=C1)[I+]C2=CC=CC=C2
Structure:
CAS RN: 2164-75-2
CAS Name: 2-[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
OPENEYE Name: 2-[2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]-3-[cyano(phenyl)methyl]hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile
IUPAC Name: 2-[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
SYSTEMATIC NAME: 2-[2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]-3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C31H33Cl2N5
MOLECULAR WEIGHT: 546.53322
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2C(C#N)C3=CC=CC=C3)C(C#N)C4=CC=CC=C4
Structure:
CAS RN: 2164-76-3
CAS Name: 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
OPENEYE Name: 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)methyl]hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile
IUPAC Name: 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
SYSTEMATIC NAME: 2-[2-[4-[bis(2-chloroethyl)amino]phenyl]-3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C30H31Cl2N5
MOLECULAR WEIGHT: 532.50664
SMILES: C1CN(C(N(C1)C(C#N)C2=CC=CC=C2)C3=CC=C(C=C3)N(CCCl)CCCl)C(C#N)C4=CC=CC=C4
Structure:
CAS RN: 2164-72-9
CAS Name: 2-[3-[cyano(phenyl)methyl]-2-[4-(dimethylamino)phenyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
OPENEYE Name: 2-[3-[cyano(phenyl)methyl]-2-[4-(dimethylamino)phenyl]hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile
IUPAC Name: 2-[3-[cyano(phenyl)methyl]-2-[4-(dimethylamino)phenyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
SYSTEMATIC NAME: 2-[3-[cyano(phenyl)methyl]-2-[4-(dimethylamino)phenyl]-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C28H29N5
MOLECULAR WEIGHT: 435.56336
SMILES: CN(C)C1=CC=C(C=C1)C2N(CCCN2C(C#N)C3=CC=CC=C3)C(C#N)C4=CC=CC=C4
Structure:
CAS RN: 2164-71-8
CAS Name: 2-[3-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile
OPENEYE Name: 2-[3-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile
IUPAC Name: 2-[3-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile
SYSTEMATIC NAME: 2-[3-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C27H26N4O
MOLECULAR WEIGHT: 422.52154
SMILES: COC1=CC=C(C=C1)C2N(CCCN2C(C#N)C3=CC=CC=C3)C(C#N)C4=CC=CC=C4
Structure:
CAS RN: 2882-07-7
CAS Name: acetic acid (3,4,5-triacetyloxy-2-thiolanyl)methyl ester
OPENEYE Name: (3,4,5-triacetoxytetrahydrothiophen-2-yl)methyl acetate
IUPAC Name: (3,4,5-triacetyloxythiolan-2-yl)methyl acetate
SYSTEMATIC NAME: (3,4,5-triacetyloxythiolan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C13H18O8S
MOLECULAR WEIGHT: 334.34222
SMILES: CC(=O)OCC1C(C(C(S1)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 16757-51-0
CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]phenol
OPENEYE Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydropyrimidin-2-yl]phenol
IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]phenol
SYSTEMATIC NAME: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]phenol
MOLECULAR FORMULA: C32H40Cl4N4O
MOLECULAR WEIGHT: 638.4982
SMILES: C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=CC=CC=C3O)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 2164-70-7
CAS Name: 2-[3-[cyano(phenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile
OPENEYE Name: 2-[3-[cyano(phenyl)methyl]-2-(2-hydroxyphenyl)hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile
IUPAC Name: 2-[3-[cyano(phenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile
SYSTEMATIC NAME: 2-[3-[cyano(phenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C26H24N4O
MOLECULAR WEIGHT: 408.49496
SMILES: C1CN(C(N(C1)C(C#N)C2=CC=CC=C2)C3=CC=CC=C3O)C(C#N)C4=CC=CC=C4
Structure:
CAS RN: 2164-69-4
CAS Name: 2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile
OPENEYE Name: 2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile
IUPAC Name: 2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile
SYSTEMATIC NAME: 2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C27H26N4O
MOLECULAR WEIGHT: 422.52154
SMILES: COC1=CC=CC=C1C2N(CCCN2C(C#N)C3=CC=CC=C3)C(C#N)C4=CC=CC=C4
Structure:
CAS RN: 2164-68-3
CAS Name: 2-[3-[cyano(phenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-phenylacetonitrile
OPENEYE Name: 2-[3-[cyano(phenyl)methyl]-2-phenyl-hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile
IUPAC Name: 2-[3-[cyano(phenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-phenylacetonitrile
SYSTEMATIC NAME: 2-[3-[cyano(phenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C26H24N4
MOLECULAR WEIGHT: 392.49556
SMILES: C1CN(C(N(C1)C(C#N)C2=CC=CC=C2)C3=CC=CC=C3)C(C#N)C4=CC=CC=C4
Structure:
CAS RN: 16568-27-7
CAS Name: 5,6-dimethyl-12H-benzo[c]acridin-7-one
OPENEYE Name: 5,6-dimethyl-12H-benzo[c]acridin-7-one
IUPAC Name: 5,6-dimethyl-12H-benzo[c]acridin-7-one
SYSTEMATIC NAME: 5,6-dimethyl-12H-benzo[c]acridin-7-one
MOLECULAR FORMULA: C19H15NO
MOLECULAR WEIGHT: 273.3285
SMILES: CC1=C(C2=C(C3=CC=CC=C13)NC4=CC=CC=C4C2=O)C
Structure:
CAS RN: 5616-75-1
CAS Name: 2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-3-methylbutanoic acid
OPENEYE Name: 2-[(2-amino-3-hydroxy-butanoyl)amino]-3-methyl-butanoic acid
IUPAC Name: 2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C9H18N2O4
MOLECULAR WEIGHT: 218.25022
SMILES: CC(C)C(C(=O)O)NC(=O)C(C(C)O)N
Structure:
CAS RN: 83898-13-9
CAS Name: 2-phenyl-2-(4-piperidinyl)acetonitrile
OPENEYE Name: 2-phenyl-2-(4-piperidyl)acetonitrile
IUPAC Name: 2-phenyl-2-piperidin-4-ylacetonitrile
SYSTEMATIC NAME: 2-phenyl-2-piperidin-4-yl-ethanenitrile
MOLECULAR FORMULA: C13H16N2
MOLECULAR WEIGHT: 200.27954
SMILES: C1CNCCC1C(C#N)C2=CC=CC=C2
Structure:
CAS RN: 13560-36-6
CAS Name: 1-methoxy-4-(3-methylsulfinyl-1,1-diphenylpropan-2-yl)benzene
OPENEYE Name: 1-methoxy-4-[1-(methylsulfinylmethyl)-2,2-diphenyl-ethyl]benzene
IUPAC Name: 1-methoxy-4-(3-methylsulfinyl-1,1-diphenylpropan-2-yl)benzene
SYSTEMATIC NAME: 1-methoxy-4-(3-methylsulfinyl-1,1-diphenyl-propan-2-yl)benzene
MOLECULAR FORMULA: C23H24O2S
MOLECULAR WEIGHT: 364.50046
SMILES: COC1=CC=C(C=C1)C(CS(=O)C)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 3199-87-9
CAS Name: 3-[4-(2-hydroxy-1-phenyl-2,3-dihydroinden-1-yl)-1-piperazinyl]-3-phenyl-1,2-dihydroinden-2-ol
OPENEYE Name: 1-[4-(2-hydroxy-1-phenyl-indan-1-yl)piperazin-1-yl]-1-phenyl-indan-2-ol
IUPAC Name: 3-[4-(2-hydroxy-1-phenyl-2,3-dihydroinden-1-yl)piperazin-1-yl]-3-phenyl-1,2-dihydroinden-2-ol
SYSTEMATIC NAME: 3-[4-(2-oxidanyl-1-phenyl-2,3-dihydroinden-1-yl)piperazin-1-yl]-3-phenyl-1,2-dihydroinden-2-ol
MOLECULAR FORMULA: C34H34N2O2
MOLECULAR WEIGHT: 502.64596
SMILES: C1CN(CCN1C2(C(CC3=CC=CC=C32)O)C4=CC=CC=C4)C5(C(CC6=CC=CC=C65)O)C7=CC=CC=C7
Structure:
CAS RN: 3199-88-0
CAS Name: 6-methoxy-3-phenyl-3-(1-piperazinyl)-1,2-dihydroinden-2-ol
OPENEYE Name: 5-methoxy-1-phenyl-1-piperazin-1-yl-indan-2-ol
IUPAC Name: 6-methoxy-3-phenyl-3-piperazin-1-yl-1,2-dihydroinden-2-ol
SYSTEMATIC NAME: 6-methoxy-3-phenyl-3-piperazin-1-yl-1,2-dihydroinden-2-ol
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: COC1=CC2=C(C=C1)C(C(C2)O)(C3=CC=CC=C3)N4CCNCC4
Structure:
CAS RN: 27256-91-3
CAS Name: pyridin-4-ylhydrazine
OPENEYE Name: 4-pyridylhydrazine
IUPAC Name: pyridin-4-ylhydrazine
SYSTEMATIC NAME: pyridin-4-yldiazane
MOLECULAR FORMULA: C5H7N3
MOLECULAR WEIGHT: 109.12918
SMILES: C1=CN=CC=C1NN
Structure:
CAS RN: 4706-04-1
CAS Name: [4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxy-3-oxanyl]-(phenylthio)mercury
OPENEYE Name: [4,5-diacetoxy-6-(acetoxymethyl)-2-methoxy-tetrahydropyran-3-yl]-phenylsulfanyl-mercury
IUPAC Name: [4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]-phenylsulfanylmercury
SYSTEMATIC NAME: [4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxy-oxan-3-yl]-phenylsulfanyl-mercury
MOLECULAR FORMULA: C19H24HgO8S
MOLECULAR WEIGHT: 613.04406
SMILES: CC(=O)OCC1C(C(C(C(O1)OC)[Hg]SC2=CC=CC=C2)OC(=O)C)OC(=O)C
Structure:
CAS RN: 5172-48-5
CAS Name: [4,5-diacetyloxy-6-(acetyloxymethyl)-2-propan-2-yloxy-3-oxanyl]-(phenylmethylthio)mercury
OPENEYE Name: benzylsulfanyl-[4,5-diacetoxy-6-(acetoxymethyl)-2-isopropoxy-tetrahydropyran-3-yl]mercury
IUPAC Name: benzylsulfanyl-[4,5-diacetyloxy-6-(acetyloxymethyl)-2-propan-2-yloxyoxan-3-yl]mercury
SYSTEMATIC NAME: [4,5-diacetyloxy-6-(acetyloxymethyl)-2-propan-2-yloxy-oxan-3-yl]-(phenylmethylsulfanyl)mercury
MOLECULAR FORMULA: C22H30HgO8S
MOLECULAR WEIGHT: 655.1238
SMILES: CC(C)OC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)[Hg]SCC2=CC=CC=C2
Structure:
CAS RN: 1042-22-4
CAS Name: 5-phenyl-5-[2-(1-piperidinyl)ethyl]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-phenyl-5-[2-(1-piperidyl)ethyl]hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-phenyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-phenyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C17H21N3O3
MOLECULAR WEIGHT: 315.36694
SMILES: C1CCN(CC1)CCC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3
Structure:
CAS RN: 71033-06-2
CAS Name: 7-[4-[4-[4-[[(4-aminophenyl)-oxomethyl]amino]-2-methylphenyl]azo-2-methylphenyl]azo-2-methylphenyl]azonaphthalene-1,3-disulfonic acid
OPENEYE Name: 7-[4-[4-[4-[(4-aminobenzoyl)amino]-2-methyl-phenyl]azo-2-methyl-phenyl]azo-2-methyl-phenyl]azonaphthalene-1,3-disulfonic acid
IUPAC Name: 7-[[4-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid
SYSTEMATIC NAME: 7-[[4-[[4-[[4-[(4-aminophenyl)carbonylamino]-2-methyl-phenyl]diazenyl]-2-methyl-phenyl]diazenyl]-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonic acid
MOLECULAR FORMULA: C38H32N8O7S2
MOLECULAR WEIGHT: 776.84008
SMILES: CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC(=C(C=C3)N=NC4=CC(=C(C=C4)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O)C)C
Structure:
CAS RN: 2205-86-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28O3
MOLECULAR WEIGHT: 328.44522
SMILES: CC(=O)C1CCC2C1(CCC3C2CC4C5=CC(=O)CCC35CO4)C
Structure:
CAS RN: 7605-67-6
CAS Name: 2-(2-nitrophenyl)benzoic acid methyl ester
OPENEYE Name: methyl 2-(2-nitrophenyl)benzoate
IUPAC Name: methyl 2-(2-nitrophenyl)benzoate
SYSTEMATIC NAME: methyl 2-(2-nitrophenyl)benzoate
MOLECULAR FORMULA: C14H11NO4
MOLECULAR WEIGHT: 257.24144
SMILES: COC(=O)C1=CC=CC=C1C2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 2240-75-7
CAS Name: 2-[2-(1-methyl-3-pyridin-1-iumyl)ethenyl]-8-quinolinol
OPENEYE Name: 2-[2-(1-methylpyridin-1-ium-3-yl)vinyl]quinolin-8-ol
IUPAC Name: 2-[2-(1-methylpyridin-1-ium-3-yl)ethenyl]quinolin-8-ol
SYSTEMATIC NAME: 2-[2-(1-methylpyridin-1-ium-3-yl)ethenyl]quinolin-8-ol
MOLECULAR FORMULA: C17H15N2O+
MOLECULAR WEIGHT: 263.3138
SMILES: C[N+]1=CC=CC(=C1)C=CC2=NC3=C(C=CC=C3O)C=C2
Structure:
CAS RN: 16326-62-8
CAS Name: 1-carbamoyl-3-nitrourea
OPENEYE Name: 1-carbamoyl-3-nitro-urea
IUPAC Name: 1-carbamoyl-3-nitrourea
SYSTEMATIC NAME: 1-aminocarbonyl-3-nitro-urea
MOLECULAR FORMULA: C2H4N4O4
MOLECULAR WEIGHT: 148.07756
SMILES: C(=O)(N)NC(=O)N[N+](=O)[O-]
Structure:
CAS RN: 811-07-4
CAS Name: 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline
OPENEYE Name: 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]hexahydropyrimidin-2-yl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
IUPAC Name: 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline
SYSTEMATIC NAME: 4-[1,3-bis[[4-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
MOLECULAR FORMULA: C33H45Cl2N5
MOLECULAR WEIGHT: 582.6499
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2CC3=CC=C(C=C3)N(C)C)CC4=CC=C(C=C4)N(C)C
Structure:
CAS RN: 76628-95-0
CAS Name: 2-amino-4-phenyl-6-(phenylmethyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-7-one
OPENEYE Name: 2-amino-6-benzyl-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-7-one
IUPAC Name: 2-amino-6-benzyl-4-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-7-one
SYSTEMATIC NAME: 2-azanyl-4-phenyl-6-(phenylmethyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrimidin-7-one
MOLECULAR FORMULA: C19H18N4O
MOLECULAR WEIGHT: 318.37242
SMILES: C1C2=C(C(=O)N1CC3=CC=CC=C3)NC(=NC2C4=CC=CC=C4)N
Structure:
CAS RN: 25503-27-9
CAS Name: 1-(phenylmethoxycarbonylamino)-1-cyclopentanecarboxylic acid [oxo-[1-(phenylmethoxycarbonylamino)cyclopentyl]methyl] ester
OPENEYE Name: [1-(benzyloxycarbonylamino)cyclopentanecarbonyl] 1-(benzyloxycarbonylamino)cyclopentanecarboxylate
IUPAC Name: [1-(phenylmethoxycarbonylamino)cyclopentanecarbonyl] 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SYSTEMATIC NAME: [1-(phenylmethoxycarbonylamino)cyclopentyl]carbonyl 1-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
MOLECULAR FORMULA: C28H32N2O7
MOLECULAR WEIGHT: 508.56288
SMILES: C1CCC(C1)(C(=O)OC(=O)C2(CCCC2)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
Structure:
CAS RN: 20720-17-6
CAS Name: methanesulfonic acid [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxyethyl] ester
OPENEYE Name: [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxy-ethyl] methanesulfonate
IUPAC Name: [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxyethyl] methanesulfonate
SYSTEMATIC NAME: [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylsulfonyloxy-ethyl] methanesulfonate
MOLECULAR FORMULA: C14H26O10S2
MOLECULAR WEIGHT: 418.48024
SMILES: CC1(OCC(O1)C(C(C2COC(O2)(C)C)OS(=O)(=O)C)OS(=O)(=O)C)C
Structure:
CAS RN: 916-32-5
CAS Name: 4-[1,3-bis[(2-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline
OPENEYE Name: 4-[1,3-bis[(2-methoxyphenyl)methyl]hexahydropyrimidin-2-yl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
IUPAC Name: 4-[1,3-bis[(2-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline
SYSTEMATIC NAME: 4-[1,3-bis[(2-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
MOLECULAR FORMULA: C31H39Cl2N3O2
MOLECULAR WEIGHT: 556.56626
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2CC3=CC=CC=C3OC)CC4=CC=CC=C4OC
Structure:
CAS RN: 2899-92-5
CAS Name: [[dimethylamino(sulfanylidene)methyl]thio]-phenylmercury
OPENEYE Name: dimethylcarbamothioylsulfanyl(phenyl)mercury
IUPAC Name: dimethylcarbamothioylsulfanyl(phenyl)mercury
SYSTEMATIC NAME: dimethylcarbamothioylsulfanyl(phenyl)mercury
MOLECULAR FORMULA: C9H11HgNS2
MOLECULAR WEIGHT: 397.91034
SMILES: CN(C)C(=S)S[Hg]C1=CC=CC=C1
Structure:
CAS RN: 66171-50-4
CAS Name: 6-oxo-1H-pyridine-3-carboxylic acid methyl ester
OPENEYE Name: methyl 6-oxo-1H-pyridine-3-carboxylate
IUPAC Name: methyl 6-oxo-1H-pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 6-oxidanylidene-1H-pyridine-3-carboxylate
MOLECULAR FORMULA: C7H7NO3
MOLECULAR WEIGHT: 153.13538
SMILES: COC(=O)C1=CNC(=O)C=C1
Structure:
CAS RN: 1772-60-7
CAS Name: 5-oxo-2,3-diphenyl-1-cyclopentanecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 5-oxo-2,3-diphenyl-cyclopentanecarboxylate
IUPAC Name: benzyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 5-oxidanylidene-2,3-diphenyl-cyclopentane-1-carboxylate
MOLECULAR FORMULA: C25H22O3
MOLECULAR WEIGHT: 370.44038
SMILES: C1C(C(C(C1=O)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 1772-58-3
CAS Name: 5-oxo-2,3-diphenyl-1-cyclopentanecarboxylic acid cyclohexyl ester
OPENEYE Name: cyclohexyl 5-oxo-2,3-diphenyl-cyclopentanecarboxylate
IUPAC Name: cyclohexyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
SYSTEMATIC NAME: cyclohexyl 5-oxidanylidene-2,3-diphenyl-cyclopentane-1-carboxylate
MOLECULAR FORMULA: C24H26O3
MOLECULAR WEIGHT: 362.46144
SMILES: C1CCC(CC1)OC(=O)C2C(C(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 5064-42-6
CAS Name: N-(2-bromoethyl)-2-chloro-N-(phenylmethyl)ethanamine
OPENEYE Name: N-benzyl-N-(2-bromoethyl)-2-chloro-ethanamine
IUPAC Name: N-benzyl-N-(2-bromoethyl)-2-chloroethanamine
SYSTEMATIC NAME: N-(2-bromoethyl)-2-chloranyl-N-(phenylmethyl)ethanamine
MOLECULAR FORMULA: C11H15BrClN
MOLECULAR WEIGHT: 276.6005
SMILES: C1=CC=C(C=C1)CN(CCCl)CCBr
Structure:
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