CAS RN: 6636-30-2
CAS Name: (1-methyl-3-phenyl-4-piperidinyl)-diphenylmethanol
OPENEYE Name: (1-methyl-3-phenyl-4-piperidyl)-diphenyl-methanol
IUPAC Name: (1-methyl-3-phenylpiperidin-4-yl)-diphenylmethanol
SYSTEMATIC NAME: (1-methyl-3-phenyl-piperidin-4-yl)-diphenyl-methanol
MOLECULAR FORMULA: C25H27NO
MOLECULAR WEIGHT: 357.48798
SMILES: CN1CCC(C(C1)C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
Structure:
CAS RN: 6296-31-7
CAS Name: 6-[[2-chloroethyl(propan-2-yl)amino]methyl]oxane-2,3,4,5-tetrol
OPENEYE Name: 6-[[2-chloroethyl(isopropyl)amino]methyl]tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: 6-[[2-chloroethyl(propan-2-yl)amino]methyl]oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: 6-[[2-chloroethyl(propan-2-yl)amino]methyl]oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C11H22ClNO5
MOLECULAR WEIGHT: 283.74908
SMILES: CC(C)N(CCCl)CC1C(C(C(C(O1)O)O)O)O
Structure:
CAS RN: 6344-08-7
CAS Name: 2-(2-methylsulfonylethyl)-1-nitroguanidine
OPENEYE Name: 2-(2-methylsulfonylethyl)-1-nitro-guanidine
IUPAC Name: 2-(2-methylsulfonylethyl)-1-nitroguanidine
SYSTEMATIC NAME: 2-(2-methylsulfonylethyl)-1-nitro-guanidine
MOLECULAR FORMULA: C4H10N4O4S
MOLECULAR WEIGHT: 210.2116
SMILES: CS(=O)(=O)CCN=C(N)N[N+](=O)[O-]
Structure:
CAS RN: 1123-92-8
CAS Name: 5-chloro-2,1,3-benzoselenadiazole
OPENEYE Name: 5-chloro-2,1,3-benzoselenadiazole
IUPAC Name: 5-chloro-2,1,3-benzoselenadiazole
SYSTEMATIC NAME: 5-chloranyl-2,1,3-benzoselenadiazole
MOLECULAR FORMULA: C6H3ClN2Se
MOLECULAR WEIGHT: 217.51442
SMILES: C1=CC2=N[Se]N=C2C=C1Cl
Structure:
CAS RN: 6343-86-8
CAS Name: 5-chloro-2,1,3-benzoselenadiazole
OPENEYE Name: 5-chloro-2,1,3-benzoselenadiazole
IUPAC Name: 5-chloro-2,1,3-benzoselenadiazole
SYSTEMATIC NAME: 5-chloranyl-2,1,3-benzoselenadiazole
MOLECULAR FORMULA: C6H3ClN2Se
MOLECULAR WEIGHT: 217.51442
SMILES: C1=CC2=N[Se]N=C2C=C1Cl
Structure:
CAS RN: 20302-14-1
CAS Name: 9,9-diphenylfluorene
OPENEYE Name: 9,9-diphenylfluorene
IUPAC Name: 9,9-diphenylfluorene
SYSTEMATIC NAME: 9,9-diphenylfluorene
MOLECULAR FORMULA: C25H18
MOLECULAR WEIGHT: 318.41042
SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5
Structure:
CAS RN: 5015-46-3
CAS Name: 4-[(7-bromo-9H-fluoren-2-yl)amino]-4-oxo-2-butenoic acid
OPENEYE Name: 4-[(7-bromo-9H-fluoren-2-yl)amino]-4-oxo-but-2-enoic acid
IUPAC Name: 4-[(7-bromo-9H-fluoren-2-yl)amino]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: 4-[(7-bromanyl-9H-fluoren-2-yl)amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C17H12BrNO3
MOLECULAR WEIGHT: 358.18608
SMILES: C1C2=C(C=CC(=C2)NC(=O)C=CC(=O)O)C3=C1C=C(C=C3)Br
Structure:
CAS RN: 7142-69-0
CAS Name: 2,2-bis[(4-nitrophenyl)methyl]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2,2-bis[(4-nitrophenyl)methyl]propanedioate
IUPAC Name: diethyl 2,2-bis[(4-nitrophenyl)methyl]propanedioate
SYSTEMATIC NAME: diethyl 2,2-bis[(4-nitrophenyl)methyl]propanedioate
MOLECULAR FORMULA: C21H22N2O8
MOLECULAR WEIGHT: 430.40798
SMILES: CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC
Structure:
CAS RN: 3712-88-7
CAS Name: 1-(2-phenylethyl)-2-(phenylmethyl)-4,5-dihydroimidazole
OPENEYE Name: 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole
IUPAC Name: 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole
SYSTEMATIC NAME: 1-(2-phenylethyl)-2-(phenylmethyl)-4,5-dihydroimidazole
MOLECULAR FORMULA: C18H20N2
MOLECULAR WEIGHT: 264.3648
SMILES: C1CN(C(=N1)CC2=CC=CC=C2)CCC3=CC=CC=C3
Structure:
CAS RN: 6105-54-0
CAS Name: 1-[1-aziridinyl(2-chloroethoxy)phosphoryl]aziridine
OPENEYE Name: 1-[aziridin-1-yl(2-chloroethoxy)phosphoryl]aziridine
IUPAC Name: 1-[aziridin-1-yl(2-chloroethoxy)phosphoryl]aziridine
SYSTEMATIC NAME: 1-[aziridin-1-yl(2-chloroethyloxy)phosphoryl]aziridine
MOLECULAR FORMULA: C6H12ClN2O2P
MOLECULAR WEIGHT: 210.598441
SMILES: C1CN1P(=O)(N2CC2)OCCCl
Structure:
CAS RN: 52052-70-7
CAS Name: N-[bis(2-ethyl-1-aziridinyl)phosphoryl]-N-ethylethanamine
OPENEYE Name: N-bis(2-ethylaziridin-1-yl)phosphoryl-N-ethyl-ethanamine
IUPAC Name: N-bis(2-ethylaziridin-1-yl)phosphoryl-N-ethylethanamine
SYSTEMATIC NAME: N-bis(2-ethylaziridin-1-yl)phosphoryl-N-ethyl-ethanamine
MOLECULAR FORMULA: C12H26N3OP
MOLECULAR WEIGHT: 259.328101
SMILES: CCC1CN1P(=O)(N2CC2CC)N(CC)CC
Structure:
CAS RN: 1907-75-1
CAS Name: N-[bis(1-aziridinyl)phosphoryl]-N-ethylethanamine
OPENEYE Name: N-[bis(aziridin-1-yl)phosphoryl]-N-ethyl-ethanamine
IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]-N-ethylethanamine
SYSTEMATIC NAME: N-[bis(aziridin-1-yl)phosphoryl]-N-ethyl-ethanamine
MOLECULAR FORMULA: C8H18N3OP
MOLECULAR WEIGHT: 203.221781
SMILES: CCN(CC)P(=O)(N1CC1)N2CC2
Structure:
CAS RN: 31499-90-8
CAS Name: 1H-2,1-benzoxazol-3-one
OPENEYE Name: 1H-2,1-benzoxazol-3-one
IUPAC Name: 1H-2,1-benzoxazol-3-one
SYSTEMATIC NAME: 1H-2,1-benzoxazol-3-one
MOLECULAR FORMULA: C7H5NO2
MOLECULAR WEIGHT: 135.1201
SMILES: C1=CC=C2C(=C1)C(=O)ON2
Structure:
CAS RN: 6641-40-3
CAS Name: chloro-(2-methoxy-3-oxanyl)mercury
OPENEYE Name: chloro-(2-methoxytetrahydropyran-3-yl)mercury
IUPAC Name: chloro-(2-methoxyoxan-3-yl)mercury
SYSTEMATIC NAME: chloranyl-(2-methoxyoxan-3-yl)mercury
MOLECULAR FORMULA: C6H11ClHgO2
MOLECULAR WEIGHT: 351.19334
SMILES: COC1C(CCCO1)[Hg]Cl
Structure:
CAS RN: 6641-38-9
CAS Name: chloro-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-3-oxanyl]mercury
OPENEYE Name: chloro-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]mercury
IUPAC Name: chloro-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]mercury
SYSTEMATIC NAME: chloranyl-[6-(hydroxymethyl)-2-methoxy-4,5-bis(oxidanyl)oxan-3-yl]mercury
MOLECULAR FORMULA: C7H13ClHgO5
MOLECULAR WEIGHT: 413.21812
SMILES: COC1C(C(C(C(O1)CO)O)O)[Hg]Cl
Structure:
CAS RN: 6641-37-8
CAS Name: chloro-[4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxy-3-oxanyl]mercury
OPENEYE Name: chloro-[4,5-diacetoxy-6-(acetoxymethyl)-2-methoxy-tetrahydropyran-3-yl]mercury
IUPAC Name: chloro-[4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]mercury
SYSTEMATIC NAME: chloranyl-[4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxy-oxan-3-yl]mercury
MOLECULAR FORMULA: C13H19ClHgO8
MOLECULAR WEIGHT: 539.32816
SMILES: CC(=O)OCC1C(C(C(C(O1)OC)[Hg]Cl)OC(=O)C)OC(=O)C
Structure:
CAS RN: 2359-60-6
CAS Name: 4-(1-piperidinyl)aniline
OPENEYE Name: 4-(1-piperidyl)aniline
IUPAC Name: 4-piperidin-1-ylaniline
SYSTEMATIC NAME: 4-piperidin-1-ylaniline
MOLECULAR FORMULA: C11H16N2
MOLECULAR WEIGHT: 176.25814
SMILES: C1CCN(CC1)C2=CC=C(C=C2)N
Structure:
CAS RN: 459-79-0
CAS Name: 1-nitro-2-(2,2,2-trifluoroethyl)guanidine
OPENEYE Name: 1-nitro-2-(2,2,2-trifluoroethyl)guanidine
IUPAC Name: 1-nitro-2-(2,2,2-trifluoroethyl)guanidine
SYSTEMATIC NAME: 1-nitro-2-[2,2,2-tris(fluoranyl)ethyl]guanidine
MOLECULAR FORMULA: C3H5F3N4O2
MOLECULAR WEIGHT: 186.09261
SMILES: C(C(F)(F)F)N=C(N)N[N+](=O)[O-]
Structure:
CAS RN: 6640-98-8
CAS Name: N-(2,5-dichlorophenyl)-2-(phenylmethylthio)-4-pyrimidinamine
OPENEYE Name: 2-benzylsulfanyl-N-(2,5-dichlorophenyl)pyrimidin-4-amine
IUPAC Name: 2-benzylsulfanyl-N-(2,5-dichlorophenyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-[2,5-bis(chloranyl)phenyl]-2-(phenylmethylsulfanyl)pyrimidin-4-amine
MOLECULAR FORMULA: C17H13Cl2N3S
MOLECULAR WEIGHT: 362.27622
SMILES: C1=CC=C(C=C1)CSC2=NC=CC(=N2)NC3=C(C=CC(=C3)Cl)Cl
Structure:
CAS RN: 3790-24-7
CAS Name: bis(1-aziridinyl)-(3-methylbutoxy)-sulfanylidenephosphorane
OPENEYE Name: bis(aziridin-1-yl)-isopentyloxy-thioxo-$l^{5}-phosphane
IUPAC Name: bis(aziridin-1-yl)-(3-methylbutoxy)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: bis(aziridin-1-yl)-(3-methylbutoxy)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C9H19N2OPS
MOLECULAR WEIGHT: 234.298721
SMILES: CC(C)CCOP(=S)(N1CC1)N2CC2
Structure:
CAS RN: 32934-49-9
CAS Name: 2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.4.0]eicosan-6-yl]phenoxazine-1,9-dicarboxamide
OPENEYE Name: 2-amino-N1,N9-bis(3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.4.0]icosan-6-yl)-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide
IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.4.0]icosan-6-yl]phenoxazine-1,9-dicarboxamide
SYSTEMATIC NAME: 2-azanyl-4,6-dimethyl-3-oxidanylidene-N1,N9-bis[7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.4.0]icosan-6-yl]phenoxazine-1,9-dicarboxamide
MOLECULAR FORMULA: C64H90N12O16
MOLECULAR WEIGHT: 1283.4702
SMILES: CC1C(C(=O)NC(C(=O)N2CCCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C
Structure:
CAS RN: 73981-16-5
CAS Name: 2-benzoyloxy-2-phenylpropanedioic acid diethyl ester
OPENEYE Name: diethyl 2-benzoyloxy-2-phenyl-propanedioate
IUPAC Name: diethyl 2-benzoyloxy-2-phenylpropanedioate
SYSTEMATIC NAME: diethyl 2-phenyl-2-(phenylcarbonyloxy)propanedioate
MOLECULAR FORMULA: C20H20O6
MOLECULAR WEIGHT: 356.3692
SMILES: CCOC(=O)C(C1=CC=CC=C1)(C(=O)OCC)OC(=O)C2=CC=CC=C2
Structure:
CAS RN: 6452-81-9
CAS Name: 2,3,5-tris(4-morpholinylmethyl)benzene-1,4-diol
OPENEYE Name: 2,3,5-tris(morpholinomethyl)benzene-1,4-diol
IUPAC Name: 2,3,5-tris(morpholin-4-ylmethyl)benzene-1,4-diol
SYSTEMATIC NAME: 2,3,5-tris(morpholin-4-ylmethyl)benzene-1,4-diol
MOLECULAR FORMULA: C21H33N3O5
MOLECULAR WEIGHT: 407.50382
SMILES: C1COCCN1CC2=CC(=C(C(=C2O)CN3CCOCC3)CN4CCOCC4)O
Structure:
CAS RN: 6329-96-0
CAS Name: 2-[oxo-(8-quinolinylamino)methyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
OPENEYE Name: 2-(8-quinolylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
IUPAC Name: 2-(quinolin-8-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
SYSTEMATIC NAME: 2-(quinolin-8-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
MOLECULAR FORMULA: C17H16N2O4
MOLECULAR WEIGHT: 312.31994
SMILES: C1CC2C(C(C1O2)C(=O)NC3=CC=CC4=C3N=CC=C4)C(=O)O
Structure:
CAS RN: 6341-61-3
CAS Name: 4-oxo-1,2,6-triphenyl-1-cyclohexanecarbonitrile
OPENEYE Name: 4-oxo-1,2,6-triphenyl-cyclohexanecarbonitrile
IUPAC Name: 4-oxo-1,2,6-triphenylcyclohexane-1-carbonitrile
SYSTEMATIC NAME: 4-oxidanylidene-1,2,6-triphenyl-cyclohexane-1-carbonitrile
MOLECULAR FORMULA: C25H21NO
MOLECULAR WEIGHT: 351.44034
SMILES: C1C(C(C(CC1=O)C2=CC=CC=C2)(C#N)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 17601-71-7
CAS Name: benzoic acid (2-benzoyloxy-1,2-diphenylethyl) ester
OPENEYE Name: (2-benzoyloxy-1,2-diphenyl-ethyl) benzoate
IUPAC Name: (2-benzoyloxy-1,2-diphenylethyl) benzoate
SYSTEMATIC NAME: [1,2-diphenyl-2-(phenylcarbonyloxy)ethyl] benzoate
MOLECULAR FORMULA: C28H22O4
MOLECULAR WEIGHT: 422.47188
SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Structure:
CAS RN: 13194-59-7
CAS Name: N,N-dibutylcarbamimidic acid 2,2,4-trimethylpentyl ester
OPENEYE Name: 1,1-dibutyl-2-(2,2,4-trimethylpentyl)isourea
IUPAC Name: 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate
SYSTEMATIC NAME: 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate
MOLECULAR FORMULA: C17H36N2O
MOLECULAR WEIGHT: 284.48054
SMILES: CCCCN(CCCC)C(=N)OCC(C)(C)CC(C)C
Structure:
CAS RN: 100511-78-2
CAS Name: 3-[4-(aminomethyl)phenyl]propanoic acid methyl ester
OPENEYE Name: methyl 3-[4-(aminomethyl)phenyl]propanoate
IUPAC Name: methyl 3-[4-(aminomethyl)phenyl]propanoate
SYSTEMATIC NAME: methyl 3-[4-(aminomethyl)phenyl]propanoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: COC(=O)CCC1=CC=C(C=C1)CN
Structure:
CAS RN: 7143-22-8
CAS Name: 10-(2-hydroxyethyl)-7-oxa-10-azaspiro[4.5]decan-6-one
OPENEYE Name: 10-(2-hydroxyethyl)-7-oxa-10-azaspiro[4.5]decan-6-one
IUPAC Name: 10-(2-hydroxyethyl)-7-oxa-10-azaspiro[4.5]decan-6-one
SYSTEMATIC NAME: 10-(2-hydroxyethyl)-7-oxa-10-azaspiro[4.5]decan-6-one
MOLECULAR FORMULA: C10H17NO3
MOLECULAR WEIGHT: 199.24688
SMILES: C1CCC2(C1)C(=O)OCCN2CCO
Structure:
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