CAS RN: 1995-76-2
CAS Name: N-(2,2,2-trifluoro-1,1-diphenylethyl)acetamide
OPENEYE Name: N-(2,2,2-trifluoro-1,1-diphenyl-ethyl)acetamide
IUPAC Name: N-(2,2,2-trifluoro-1,1-diphenylethyl)acetamide
SYSTEMATIC NAME: N-[2,2,2-tris(fluoranyl)-1,1-diphenyl-ethyl]ethanamide
MOLECULAR FORMULA: C16H14F3NO
MOLECULAR WEIGHT: 293.28367
SMILES: CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C(F)(F)F
Structure:
CAS RN: 2247-71-4
CAS Name: N-[1,1-bis(4-chlorophenyl)-2,2,2-trifluoroethyl]acetamide
OPENEYE Name: N-[1,1-bis(4-chlorophenyl)-2,2,2-trifluoro-ethyl]acetamide
IUPAC Name: N-[1,1-bis(4-chlorophenyl)-2,2,2-trifluoroethyl]acetamide
SYSTEMATIC NAME: N-[1,1-bis(4-chlorophenyl)-2,2,2-tris(fluoranyl)ethyl]ethanamide
MOLECULAR FORMULA: C16H12Cl2F3NO
MOLECULAR WEIGHT: 362.17379
SMILES: CC(=O)NC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C(F)(F)F
Structure:
CAS RN: 84473-60-9
CAS Name: 4-methoxy-1-naphthalenesulfonic acid
OPENEYE Name: 4-methoxynaphthalene-1-sulfonic acid
IUPAC Name: 4-methoxynaphthalene-1-sulfonic acid
SYSTEMATIC NAME: 4-methoxynaphthalene-1-sulfonic acid
MOLECULAR FORMULA: C11H10O4S
MOLECULAR WEIGHT: 238.2597
SMILES: COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)O
Structure:
CAS RN: 74037-85-7
CAS Name: 1-(3-methoxyphenoxy)-3-[4-(2-methylphenyl)-1-piperazinyl]-2-propanol
OPENEYE Name: 1-(3-methoxyphenoxy)-3-[4-(o-tolyl)piperazin-1-yl]propan-2-ol
IUPAC Name: 1-(3-methoxyphenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-(3-methoxyphenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C21H28N2O3
MOLECULAR WEIGHT: 356.45862
SMILES: CC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC(=C3)OC)O
Structure:
CAS RN: 66307-35-5
CAS Name: 1-[4-(2-methylphenyl)-1-piperazinyl]-3-(phenylthio)-2-propanol
OPENEYE Name: 1-[4-(o-tolyl)piperazin-1-yl]-3-phenylsulfanyl-propan-2-ol
IUPAC Name: 1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
SYSTEMATIC NAME: 1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylsulfanyl-propan-2-ol
MOLECULAR FORMULA: C20H26N2OS
MOLECULAR WEIGHT: 342.49824
SMILES: CC1=CC=CC=C1N2CCN(CC2)CC(CSC3=CC=CC=C3)O
Structure:
CAS RN: 20593-60-6
CAS Name: 2-[[2-(2,3-dimethoxyphenyl)cyclohexyl]thio]acetic acid
OPENEYE Name: 2-[2-(2,3-dimethoxyphenyl)cyclohexyl]sulfanylacetic acid
IUPAC Name: 2-[2-(2,3-dimethoxyphenyl)cyclohexyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-(2,3-dimethoxyphenyl)cyclohexyl]sulfanylethanoic acid
MOLECULAR FORMULA: C16H22O4S
MOLECULAR WEIGHT: 310.40848
SMILES: COC1=CC=CC(=C1OC)C2CCCCC2SCC(=O)O
Structure:
CAS RN: 16336-04-2
CAS Name: 8-ethoxy-2,3-diphenyl-6-pyrido[2,3-b]pyrazinamine
OPENEYE Name: 8-ethoxy-2,3-diphenyl-pyrido[2,3-b]pyrazin-6-amine
IUPAC Name: 8-ethoxy-2,3-diphenylpyrido[2,3-b]pyrazin-6-amine
SYSTEMATIC NAME: 8-ethoxy-2,3-diphenyl-pyrido[2,3-b]pyrazin-6-amine
MOLECULAR FORMULA: C21H18N4O
MOLECULAR WEIGHT: 342.39382
SMILES: CCOC1=CC(=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)N
Structure:
CAS RN: 34374-67-9
CAS Name: 5,6-dichloro-2H-benzotriazole
OPENEYE Name: 5,6-dichloro-2H-benzotriazole
IUPAC Name: 5,6-dichloro-2H-benzotriazole
SYSTEMATIC NAME: 5,6-bis(chloranyl)-2H-benzotriazole
MOLECULAR FORMULA: C6H3Cl2N3
MOLECULAR WEIGHT: 188.01412
SMILES: C1=C(C(=CC2=NNN=C21)Cl)Cl
Structure:
CAS RN: 29545-24-2
CAS Name: 8-[[4,6-bis(8-quinolinyloxy)-1,3,5-triazin-2-yl]oxy]quinoline
OPENEYE Name: 8-[[4,6-bis(8-quinolyloxy)-1,3,5-triazin-2-yl]oxy]quinoline
IUPAC Name: 8-[[4,6-di(quinolin-8-yloxy)-1,3,5-triazin-2-yl]oxy]quinoline
SYSTEMATIC NAME: 8-[[4,6-di(quinolin-8-yloxy)-1,3,5-triazin-2-yl]oxy]quinoline
MOLECULAR FORMULA: C30H18N6O3
MOLECULAR WEIGHT: 510.50232
SMILES: C1=CC2=C(C(=C1)OC3=NC(=NC(=N3)OC4=CC=CC5=C4N=CC=C5)OC6=CC=CC7=C6N=CC=C7)N=CC=C2
Structure:
CAS RN: 51304-59-7
CAS Name: 4-phenyl-4-propoxypiperidine
OPENEYE Name: 4-phenyl-4-propoxy-piperidine
IUPAC Name: 4-phenyl-4-propoxypiperidine
SYSTEMATIC NAME: 4-phenyl-4-propoxy-piperidine
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: CCCOC1(CCNCC1)C2=CC=CC=C2
Structure:
CAS RN: 1125-01-5
CAS Name: 9-azaspiro[5.5]undecane
OPENEYE Name: 9-azaspiro[5.5]undecane
IUPAC Name: 9-azaspiro[5.5]undecane
SYSTEMATIC NAME: 9-azaspiro[5.5]undecane
MOLECULAR FORMULA: C10H19N
MOLECULAR WEIGHT: 153.26456
SMILES: C1CCC2(CC1)CCNCC2
Structure:
CAS RN: 14635-53-1
CAS Name: [2-(9,11-dichloro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] dihydrogen phosphate
OPENEYE Name: [2-(9,11-dichloro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] dihydrogen phosphate
IUPAC Name: [2-(9,11-dichloro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] dihydrogen phosphate
SYSTEMATIC NAME: [2-[9,11-bis(chloranyl)-10,13,16-trimethyl-17-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] dihydrogen phosphate
MOLECULAR FORMULA: C22H29Cl2O7P
MOLECULAR WEIGHT: 507.341221
SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)Cl)Cl)C
Structure:
CAS RN: 83763-24-0
CAS Name: N,N-dimethyl-4-phenyl-4-piperidinecarboxamide
OPENEYE Name: N,N-dimethyl-4-phenyl-piperidine-4-carboxamide
IUPAC Name: N,N-dimethyl-4-phenylpiperidine-4-carboxamide
SYSTEMATIC NAME: N,N-dimethyl-4-phenyl-piperidine-4-carboxamide
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: CN(C)C(=O)C1(CCNCC1)C2=CC=CC=C2
Structure:
CAS RN: 1888-09-1
CAS Name: 4-ethoxy-4-phenylpiperidine
OPENEYE Name: 4-ethoxy-4-phenyl-piperidine
IUPAC Name: 4-ethoxy-4-phenylpiperidine
SYSTEMATIC NAME: 4-ethoxy-4-phenyl-piperidine
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: CCOC1(CCNCC1)C2=CC=CC=C2
Structure:
CAS RN: 50533-97-6
CAS Name: N,N-dimethyl-4-piperidinamine
OPENEYE Name: N,N-dimethylpiperidin-4-amine
IUPAC Name: N,N-dimethylpiperidin-4-amine
SYSTEMATIC NAME: N,N-dimethylpiperidin-4-amine
MOLECULAR FORMULA: C7H16N2
MOLECULAR WEIGHT: 128.21534
SMILES: CN(C)C1CCNCC1
Structure:
CAS RN: 70561-66-9
CAS Name: 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
OPENEYE Name: 2-amino-3-(3,4-dibenzyloxyphenyl)-3-hydroxy-propanoic acid
IUPAC Name: 2-amino-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[3,4-bis(phenylmethoxy)phenyl]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C23H23NO5
MOLECULAR WEIGHT: 393.43242
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(C(C(=O)O)N)O)OCC3=CC=CC=C3
Structure:
CAS RN: 16623-56-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H44N2O7
MOLECULAR WEIGHT: 652.77586
SMILES: CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC
Structure:
CAS RN: 4519-36-2
CAS Name: trimethyl-[(4-methylphenyl)methyl]ammonium
OPENEYE Name: trimethyl(p-tolylmethyl)ammonium
IUPAC Name: trimethyl-[(4-methylphenyl)methyl]azanium
SYSTEMATIC NAME: trimethyl-[(4-methylphenyl)methyl]azanium
MOLECULAR FORMULA: C11H18N+
MOLECULAR WEIGHT: 164.26732
SMILES: CC1=CC=C(C=C1)C[N+](C)(C)C
Structure:
CAS RN: 3486-76-8
CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
OPENEYE Name: 2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
IUPAC Name: 2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
SYSTEMATIC NAME: 2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
MOLECULAR FORMULA: C8H12N4O3
MOLECULAR WEIGHT: 212.20588
SMILES: C1=C(NC=N1)CC(C(=O)O)NC(=O)CN
Structure:
CAS RN: 29727-65-9
CAS Name: 2-[(2-amino-1-oxopropyl)amino]-3-methylpentanoic acid
OPENEYE Name: 2-(2-aminopropanoylamino)-3-methyl-pentanoic acid
IUPAC Name: 2-(2-aminopropanoylamino)-3-methylpentanoic acid
SYSTEMATIC NAME: 2-(2-azanylpropanoylamino)-3-methyl-pentanoic acid
MOLECULAR FORMULA: C9H18N2O3
MOLECULAR WEIGHT: 202.25082
SMILES: CCC(C)C(C(=O)O)NC(=O)C(C)N
Structure:
CAS RN: 30668-06-5
CAS Name: 4-[1,3-dichloro-2-(4-methoxy-3-methylphenyl)propan-2-yl]-1-methoxy-2-methylbenzene
OPENEYE Name: 4-[2-chloro-1-(chloromethyl)-1-(4-methoxy-3-methyl-phenyl)ethyl]-1-methoxy-2-methyl-benzene
IUPAC Name: 4-[1,3-dichloro-2-(4-methoxy-3-methylphenyl)propan-2-yl]-1-methoxy-2-methylbenzene
SYSTEMATIC NAME: 4-[1,3-bis(chloranyl)-2-(4-methoxy-3-methyl-phenyl)propan-2-yl]-1-methoxy-2-methyl-benzene
MOLECULAR FORMULA: C19H22Cl2O2
MOLECULAR WEIGHT: 353.28278
SMILES: CC1=C(C=CC(=C1)C(CCl)(CCl)C2=CC(=C(C=C2)OC)C)OC
Structure:
CAS RN: 102612-70-4
CAS Name: 1-[1,3-dichloro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene
OPENEYE Name: 1-[2-chloro-1-(chloromethyl)-1-(4-methoxyphenyl)ethyl]-4-methoxy-benzene
IUPAC Name: 1-[1,3-dichloro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene
SYSTEMATIC NAME: 1-[1,3-bis(chloranyl)-2-(4-methoxyphenyl)propan-2-yl]-4-methoxy-benzene
MOLECULAR FORMULA: C17H18Cl2O2
MOLECULAR WEIGHT: 325.22962
SMILES: COC1=CC=C(C=C1)C(CCl)(CCl)C2=CC=C(C=C2)OC
Structure:
CAS RN: 56182-28-6
CAS Name: 4-(2-aminophenyl)butanoic acid
OPENEYE Name: 4-(2-aminophenyl)butanoic acid
IUPAC Name: 4-(2-aminophenyl)butanoic acid
SYSTEMATIC NAME: 4-(2-aminophenyl)butanoic acid
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: C1=CC=C(C(=C1)CCCC(=O)O)N
Structure:
CAS RN: 13917-35-6
CAS Name: 2-[(2,5-dihydroxy-3,6-dioxo-4-tridecyl-1-cyclohexa-1,4-dienyl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-[(2,5-dihydroxy-3,6-dioxo-4-tridecyl-cyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecyl-1,4-benzoquinone
IUPAC Name: 2-[(2,5-dihydroxy-3,6-dioxo-4-tridecylcyclohexa-1,4-dien-1-yl)methyl]-3,6-dihydroxy-5-tridecylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[[2,5-bis(oxidanyl)-3,6-bis(oxidanylidene)-4-tridecyl-cyclohexa-1,4-dien-1-yl]methyl]-3,6-bis(oxidanyl)-5-tridecyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C39H60O8
MOLECULAR WEIGHT: 656.8889
SMILES: CCCCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)O)CC2=C(C(=O)C(=C(C2=O)O)CCCCCCCCCCCCC)O)O
Structure:
CAS RN: 1011-43-4
CAS Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
OPENEYE Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
IUPAC Name: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
SYSTEMATIC NAME: 7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: COC1=C(C=C2CCNCC2=C1)O
Structure:
CAS RN: 43207-78-9
CAS Name: 7-methoxy-1,2,3,4-tetrahydroisoquinoline
OPENEYE Name: 7-methoxy-1,2,3,4-tetrahydroisoquinoline
IUPAC Name: 7-methoxy-1,2,3,4-tetrahydroisoquinoline
SYSTEMATIC NAME: 7-methoxy-1,2,3,4-tetrahydroisoquinoline
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: COC1=CC2=C(CCNC2)C=C1
Structure:
CAS RN: 5740-58-9
CAS Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline
OPENEYE Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]hexahydropyrimidin-2-yl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
IUPAC Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methylaniline
SYSTEMATIC NAME: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
MOLECULAR FORMULA: C33H43Cl2N3O4
MOLECULAR WEIGHT: 616.61822
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2CC3=CC(=C(C=C3)OC)OC)CC4=CC(=C(C=C4)OC)OC
Structure:
CAS RN: 19320-22-0
CAS Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-phenyl-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
OPENEYE Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-phenyl-hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
IUPAC Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-phenyl-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
SYSTEMATIC NAME: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-phenyl-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
MOLECULAR FORMULA: C34H44Cl4N4
MOLECULAR WEIGHT: 650.55196
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC=CC=C3)CC4=C(C=C(C=C4)N(CCCl)CCCl)C
Structure:
CAS RN: 19320-23-1
CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]phenol
OPENEYE Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]hexahydropyrimidin-2-yl]phenol
IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]phenol
SYSTEMATIC NAME: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-1,3-diazinan-2-yl]phenol
MOLECULAR FORMULA: C34H44Cl4N4O
MOLECULAR WEIGHT: 666.55136
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC=CC=C3O)CC4=C(C=C(C=C4)N(CCCl)CCCl)C
Structure:
CAS RN: 16757-47-4
CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol
OPENEYE Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydropyrimidin-2-yl]-4-nitro-phenol
IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitrophenol
SYSTEMATIC NAME: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-nitro-phenol
MOLECULAR FORMULA: C32H39Cl4N5O3
MOLECULAR WEIGHT: 683.49576
SMILES: C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=C(C=CC(=C3)[N+](=O)[O-])O)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 299-20-7
CAS Name: 3-hydroxy-N-[24-hydroxy-7,11,13,17,20-pentamethyl-16-(3-methylbutan-2-yl)-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]-2-pyridinecarboxamide
OPENEYE Name: N-[16-(1,2-dimethylpropyl)-24-hydroxy-3-isobutyl-7,11,13,17,20-pentamethyl-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]-3-hydroxy-pyridine-2-carboxamide
IUPAC Name: 3-hydroxy-N-[24-hydroxy-7,11,13,17,20-pentamethyl-16-(3-methylbutan-2-yl)-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide
SYSTEMATIC NAME: 3-oxidanyl-N-[7,11,13,17,20-pentamethyl-16-(3-methylbutan-2-yl)-3-(2-methylpropyl)-24-oxidanyl-2,5,9,12,15,18,21-heptakis(oxidanylidene)-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide
MOLECULAR FORMULA: C44H62N8O11
MOLECULAR WEIGHT: 879.01008
SMILES: CC1C(C(=O)NC(C(=O)N2CC(CC2C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C3=CC=CC=C3)C)C)C(C)C(C)C)C)C)O)CC(C)C)NC(=O)C4=C(C=CC=N4)O
Structure:
CAS RN: 71735-31-4
CAS Name: 2,3,4,5,6-pentafluorobenzenesulfonic acid
OPENEYE Name: 2,3,4,5,6-pentafluorobenzenesulfonic acid
IUPAC Name: 2,3,4,5,6-pentafluorobenzenesulfonic acid
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonic acid
MOLECULAR FORMULA: C6HF5O3S
MOLECULAR WEIGHT: 248.127356
SMILES: C1(=C(C(=C(C(=C1F)F)S(=O)(=O)O)F)F)F
Structure:
CAS RN: 16785-65-2
CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-chlorophenol
OPENEYE Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydropyrimidin-2-yl]-4-chloro-phenol
IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-chlorophenol
SYSTEMATIC NAME: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-chloranyl-phenol
MOLECULAR FORMULA: C32H39Cl5N4O
MOLECULAR WEIGHT: 672.94326
SMILES: C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=C(C=CC(=C3)Cl)O)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 16757-53-2
CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol
OPENEYE Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydropyrimidin-2-yl]-4-bromo-phenol
IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol
SYSTEMATIC NAME: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4-bromanyl-phenol
MOLECULAR FORMULA: C32H39BrCl4N4O
MOLECULAR WEIGHT: 717.39426
SMILES: C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=C(C=CC(=C3)Br)O)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 5821-25-0
CAS Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline
OPENEYE Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]hexahydropyrimidin-2-yl]-N,N-bis(2-chloroethyl)aniline
IUPAC Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline
SYSTEMATIC NAME: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-bis(2-chloroethyl)aniline
MOLECULAR FORMULA: C32H41Cl2N3O4
MOLECULAR WEIGHT: 602.59164
SMILES: COC1=C(C=C(C=C1)CN2CCCN(C2C3=CC=C(C=C3)N(CCCl)CCCl)CC4=CC(=C(C=C4)OC)OC)OC
Structure:
CAS RN: 5118-18-3
CAS Name: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
OPENEYE Name: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]-3-[(2-hydroxy-3-methoxy-phenyl)methyl]hexahydropyrimidin-1-yl]methyl]-6-methoxy-phenol
IUPAC Name: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
SYSTEMATIC NAME: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]-3-[(3-methoxy-2-oxidanyl-phenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxy-phenol
MOLECULAR FORMULA: C31H39Cl2N3O4
MOLECULAR WEIGHT: 588.56506
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)C2N(CCCN2CC3=C(C(=CC=C3)OC)O)CC4=C(C(=CC=C4)OC)O
Structure:
CAS RN: 5821-24-9
CAS Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-dimethylaniline
OPENEYE Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]hexahydropyrimidin-2-yl]-N,N-dimethyl-aniline
IUPAC Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C30H39N3O4
MOLECULAR WEIGHT: 505.64836
SMILES: CN(C)C1=CC=C(C=C1)C2N(CCCN2CC3=CC(=C(C=C3)OC)OC)CC4=CC(=C(C=C4)OC)OC
Structure:
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