CAS RN: 1174-08-9
CAS Name: 2-[4-[2-(diethylamino)ethoxy]phenyl]-3-[4-(propan-2-ylthio)phenyl]-2-propenenitrile
OPENEYE Name: 2-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-isopropylsulfanylphenyl)prop-2-enenitrile
IUPAC Name: 2-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-propan-2-ylsulfanylphenyl)prop-2-enenitrile
SYSTEMATIC NAME: 2-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-propan-2-ylsulfanylphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C24H30N2OS
MOLECULAR WEIGHT: 394.5728
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(=CC2=CC=C(C=C2)SC(C)C)C#N
Structure:
CAS RN: 1756-37-2
CAS Name: 2-(4-chlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]-2-pentenenitrile
OPENEYE Name: 2-(4-chlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]pent-2-enenitrile
IUPAC Name: 2-(4-chlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]pent-2-enenitrile
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]pent-2-enenitrile
MOLECULAR FORMULA: C23H27ClN2O
MOLECULAR WEIGHT: 382.92628
SMILES: CCC(=C(C#N)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)OCCN(CC)CC
Structure:
CAS RN: 31659-57-1
CAS Name: 10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f][1]benzopyran-2,8-diol
OPENEYE Name: 10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f]chromene-2,8-diol
IUPAC Name: 10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f]chromene-2,8-diol
SYSTEMATIC NAME: 10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f]chromene-2,8-diol
MOLECULAR FORMULA: C19H32O3
MOLECULAR WEIGHT: 308.45558
SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC(O4)O)C)O
Structure:
CAS RN: 13023-74-0
CAS Name: 1-hydroxy-2-methyl-1-propanesulfonic acid
OPENEYE Name: 1-hydroxy-2-methyl-propane-1-sulfonic acid
IUPAC Name: 1-hydroxy-2-methylpropane-1-sulfonic acid
SYSTEMATIC NAME: 2-methyl-1-oxidanyl-propane-1-sulfonic acid
MOLECULAR FORMULA: C4H10O4S
MOLECULAR WEIGHT: 154.1848
SMILES: CC(C)C(O)S(=O)(=O)O
Structure:
CAS RN: 6949-25-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H22N2O3
MOLECULAR WEIGHT: 266.33608
SMILES: CC12C3CCC(C1(C(=O)N(C2=O)CCN(C)C)C)O3
Structure:
CAS RN: 5273-32-5
CAS Name: 2-phenyl-4,5-bis(phenylmethylthio)-3-pyridazinone
OPENEYE Name: 4,5-bis(benzylsulfanyl)-2-phenyl-pyridazin-3-one
IUPAC Name: 4,5-bis(benzylsulfanyl)-2-phenylpyridazin-3-one
SYSTEMATIC NAME: 2-phenyl-4,5-bis(phenylmethylsulfanyl)pyridazin-3-one
MOLECULAR FORMULA: C24H20N2OS2
MOLECULAR WEIGHT: 416.5584
SMILES: C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C3=CC=CC=C3)SCC4=CC=CC=C4
Structure:
CAS RN: 6958-26-5
CAS Name: trimethyl-[2-oxo-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]ammonium
OPENEYE Name: trimethyl-[2-oxo-2-[2-(4-pyridylmethylene)hydrazino]ethyl]ammonium
IUPAC Name: trimethyl-[2-oxo-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]azanium
SYSTEMATIC NAME: trimethyl-[2-oxidanylidene-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]azanium
MOLECULAR FORMULA: C11H17N4O+
MOLECULAR WEIGHT: 221.27888
SMILES: C[N+](C)(C)CC(=O)NN=CC1=CC=NC=C1
Structure:
CAS RN: 89851-17-2
CAS Name: 3-[bis(1-aziridinyl)phosphinothioylamino]-1-propanol
OPENEYE Name: 3-[bis(aziridin-1-yl)phosphinothioylamino]propan-1-ol
IUPAC Name: 3-[bis(aziridin-1-yl)phosphinothioylamino]propan-1-ol
SYSTEMATIC NAME: 3-[bis(aziridin-1-yl)phosphinothioylamino]propan-1-ol
MOLECULAR FORMULA: C7H16N3OPS
MOLECULAR WEIGHT: 221.260201
SMILES: C1CN1P(=S)(NCCCO)N2CC2
Structure:
CAS RN: 60204-83-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H27NO5
MOLECULAR WEIGHT: 409.47488
SMILES: CC12CCC3(N1C(CO2)(CO3)COC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C
Structure:
CAS RN: 35018-15-6
CAS Name: 2,2-dimethylpyrrolidine
OPENEYE Name: 2,2-dimethylpyrrolidine
IUPAC Name: 2,2-dimethylpyrrolidine
SYSTEMATIC NAME: 2,2-dimethylpyrrolidine
MOLECULAR FORMULA: C6H13N
MOLECULAR WEIGHT: 99.17412
SMILES: CC1(CCCN1)C
Structure:
CAS RN: 5300-56-1
CAS Name: 3,5-bis[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]benzoic acid
OPENEYE Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid
IUPAC Name: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid
SYSTEMATIC NAME: 3,5-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzoic acid
MOLECULAR FORMULA: C27H26N8O4
MOLECULAR WEIGHT: 526.54654
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)NC4=CC=C(C=C4)C5=NCCN5
Structure:
CAS RN: 21696-13-9
CAS Name: 2-bromo-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
OPENEYE Name: 2-bromo-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]terephthalamide
IUPAC Name: 2-bromo-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
SYSTEMATIC NAME: 2-bromanyl-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C26H23BrN6O2
MOLECULAR WEIGHT: 531.40382
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)Br
Structure:
CAS RN: 5318-83-2
CAS Name: N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-ethoxybenzene-1,3-dicarboxamide
OPENEYE Name: N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-ethoxy-benzene-1,3-dicarboxamide
IUPAC Name: 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-ethoxybenzene-1,3-dicarboxamide
SYSTEMATIC NAME: N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-ethoxy-benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C28H28N6O3
MOLECULAR WEIGHT: 496.56032
SMILES: CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NCCN3)C(=O)NC4=CC=C(C=C4)C5=NCCN5
Structure:
CAS RN: 2928-02-1
CAS Name: trifluoro-[[8-(trifluoroboranuidylammonio)-1-naphthalenyl]ammonio]boranuide
OPENEYE Name: trifluoro-[[8-(trifluoroboranuidylammonio)-1-naphthyl]ammonio]boranuide
IUPAC Name: trifluoro-[[8-(trifluoroboranuidylazaniumyl)naphthalen-1-yl]azaniumyl]boranuide
SYSTEMATIC NAME: tris(fluoranyl)-[[8-[tris(fluoranyl)boranuidylazaniumyl]naphthalen-1-yl]azaniumyl]boranuide
MOLECULAR FORMULA: C10H10B2F6N2
MOLECULAR WEIGHT: 293.812219
SMILES: [B-]([NH2+]C1=CC=CC2=C1C(=CC=C2)[NH2+][B-](F)(F)F)(F)(F)F
Structure:
CAS RN: 1553-78-2
CAS Name: [[2-chloro-4-[3-chloro-4-(trifluoroboranuidylammonio)phenyl]phenyl]ammonio]-trifluoroboranuide
OPENEYE Name: [[2-chloro-4-[3-chloro-4-(trifluoroboranuidylammonio)phenyl]phenyl]ammonio]-trifluoro-boranuide
IUPAC Name: [[2-chloro-4-[3-chloro-4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]-trifluoroboranuide
SYSTEMATIC NAME: [[2-chloranyl-4-[3-chloranyl-4-[tris(fluoranyl)boranuidylazaniumyl]phenyl]phenyl]azaniumyl]-tris(fluoranyl)boranuide
MOLECULAR FORMULA: C12H10B2Cl2F6N2
MOLECULAR WEIGHT: 388.739619
SMILES: [B-]([NH2+]C1=C(C=C(C=C1)C2=CC(=C(C=C2)[NH2+][B-](F)(F)F)Cl)Cl)(F)(F)F
Structure:
CAS RN: 2263-76-5
CAS Name: trifluoro-[[2-methoxy-4-[3-methoxy-4-(trifluoroboranuidylammonio)phenyl]phenyl]ammonio]boranuide
OPENEYE Name: trifluoro-[[2-methoxy-4-[3-methoxy-4-(trifluoroboranuidylammonio)phenyl]phenyl]ammonio]boranuide
IUPAC Name: trifluoro-[[2-methoxy-4-[3-methoxy-4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuide
SYSTEMATIC NAME: tris(fluoranyl)-[[2-methoxy-4-[3-methoxy-4-[tris(fluoranyl)boranuidylazaniumyl]phenyl]phenyl]azaniumyl]boranuide
MOLECULAR FORMULA: C14H16B2F6N2O2
MOLECULAR WEIGHT: 379.901459
SMILES: [B-]([NH2+]C1=C(C=C(C=C1)C2=CC(=C(C=C2)[NH2+][B-](F)(F)F)OC)OC)(F)(F)F
Structure:
CAS RN: 2263-75-4
CAS Name: trifluoro-[[2-methyl-4-[3-methyl-4-(trifluoroboranuidylammonio)phenyl]phenyl]ammonio]boranuide
OPENEYE Name: trifluoro-[[2-methyl-4-[3-methyl-4-(trifluoroboranuidylammonio)phenyl]phenyl]ammonio]boranuide
IUPAC Name: trifluoro-[[2-methyl-4-[3-methyl-4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuide
SYSTEMATIC NAME: tris(fluoranyl)-[[2-methyl-4-[3-methyl-4-[tris(fluoranyl)boranuidylazaniumyl]phenyl]phenyl]azaniumyl]boranuide
MOLECULAR FORMULA: C14H16B2F6N2
MOLECULAR WEIGHT: 347.902659
SMILES: [B-]([NH2+]C1=C(C=C(C=C1)C2=CC(=C(C=C2)[NH2+][B-](F)(F)F)C)C)(F)(F)F
Structure:
CAS RN: 1535-23-5
CAS Name: trifluoro-[[4-[4-(trifluoroboranuidylammonio)phenyl]phenyl]ammonio]boranuide
OPENEYE Name: trifluoro-[[4-[4-(trifluoroboranuidylammonio)phenyl]phenyl]ammonio]boranuide
IUPAC Name: trifluoro-[[4-[4-(trifluoroboranuidylazaniumyl)phenyl]phenyl]azaniumyl]boranuide
SYSTEMATIC NAME: tris(fluoranyl)-[[4-[4-[tris(fluoranyl)boranuidylazaniumyl]phenyl]phenyl]azaniumyl]boranuide
MOLECULAR FORMULA: C12H12B2F6N2
MOLECULAR WEIGHT: 319.849499
SMILES: [B-]([NH2+]C1=CC=C(C=C1)C2=CC=C(C=C2)[NH2+][B-](F)(F)F)(F)(F)F
Structure:
CAS RN: 706-74-1
CAS Name: trifluoro-[[4-(trifluoroboranuidylammonio)phenyl]ammonio]boranuide
OPENEYE Name: trifluoro-[[4-(trifluoroboranuidylammonio)phenyl]ammonio]boranuide
IUPAC Name: trifluoro-[[4-(trifluoroboranuidylazaniumyl)phenyl]azaniumyl]boranuide
SYSTEMATIC NAME: tris(fluoranyl)-[[4-[tris(fluoranyl)boranuidylazaniumyl]phenyl]azaniumyl]boranuide
MOLECULAR FORMULA: C6H8B2F6N2
MOLECULAR WEIGHT: 243.753539
SMILES: [B-]([NH2+]C1=CC=C(C=C1)[NH2+][B-](F)(F)F)(F)(F)F
Structure:
CAS RN: 92379-55-0
CAS Name: amino-[3-[amino(dimethyl)ammonio]propyl]-dimethylammonium
OPENEYE Name: amino-[3-[amino(dimethyl)ammonio]propyl]-dimethyl-ammonium
IUPAC Name: amino-[3-[amino(dimethyl)azaniumyl]propyl]-dimethylazanium
SYSTEMATIC NAME: azanyl-[3-[azanyl(dimethyl)azaniumyl]propyl]-dimethyl-azanium
MOLECULAR FORMULA: C7H22N4+2
MOLECULAR WEIGHT: 162.27638
SMILES: C[N+](C)(CCC[N+](C)(C)N)N
Structure:
CAS RN: 7147-22-0
CAS Name: 2-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinane
OPENEYE Name: 2-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]hexahydropyrimidine
IUPAC Name: 2-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinane
SYSTEMATIC NAME: 2-(4-chlorophenyl)-1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinane
MOLECULAR FORMULA: C24H23Cl3N2
MOLECULAR WEIGHT: 445.81182
SMILES: C1CN(C(N(C1)CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 7146-88-5
CAS Name: 1-chloro-2-[2-(2-chlorophenyl)-1,2-diphenylethyl]benzene
OPENEYE Name: 1-chloro-2-[2-(2-chlorophenyl)-1,2-diphenyl-ethyl]benzene
IUPAC Name: 1-chloro-2-[2-(2-chlorophenyl)-1,2-diphenylethyl]benzene
SYSTEMATIC NAME: 1-chloranyl-2-[2-(2-chlorophenyl)-1,2-diphenyl-ethyl]benzene
MOLECULAR FORMULA: C26H20Cl2
MOLECULAR WEIGHT: 403.343
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2Cl)C(C3=CC=CC=C3)C4=CC=CC=C4Cl
Structure:
CAS RN: 37386-15-5
CAS Name: 2-(1-pyrrolidinyl)acetic acid
OPENEYE Name: 2-pyrrolidin-1-ylacetic acid
IUPAC Name: 2-pyrrolidin-1-ylacetic acid
SYSTEMATIC NAME: 2-pyrrolidin-1-ylethanoic acid
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: C1CCN(C1)CC(=O)O
Structure:
CAS RN: 1807-86-9
CAS Name: N-(4-methoxyphenyl)-1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-1,3,2$l^{5}-diazaphosphorinan-2-amine
OPENEYE Name: N-(4-methoxyphenyl)-1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-1,3,2$l^{5}-diazaphosphinan-2-amine
IUPAC Name: N-(4-methoxyphenyl)-1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-1,3,2$l^{5}-diazaphosphinan-2-amine
SYSTEMATIC NAME: N-(4-methoxyphenyl)-1,3-bis[(4-methoxyphenyl)methyl]-2-oxidanylidene-1,3,2$l^{5}-diazaphosphinan-2-amine
MOLECULAR FORMULA: C26H32N3O4P
MOLECULAR WEIGHT: 481.523741
SMILES: COC1=CC=C(C=C1)CN2CCCN(P2(=O)NC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC
Structure:
CAS RN: 1061-49-0
CAS Name: N-(4-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-1,3,2$l^{5}-diazaphosphorinan-2-amine
OPENEYE Name: N-(4-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-1,3,2$l^{5}-diazaphosphinan-2-amine
IUPAC Name: N-(4-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-2-oxo-1,3,2$l^{5}-diazaphosphinan-2-amine
SYSTEMATIC NAME: N-(4-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-2-oxidanylidene-1,3,2$l^{5}-diazaphosphinan-2-amine
MOLECULAR FORMULA: C25H29ClN3O3P
MOLECULAR WEIGHT: 485.942821
SMILES: COC1=CC=C(C=C1)CN2CCCN(P2(=O)NC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)OC
Structure:
CAS RN: 6941-23-7
CAS Name: N,N'-dimethyl-N,N',1,2-tetraphenylethane-1,2-diamine
OPENEYE Name: N,N'-dimethyl-N,N',1,2-tetraphenyl-ethane-1,2-diamine
IUPAC Name: N,N'-dimethyl-N,N',1,2-tetraphenylethane-1,2-diamine
SYSTEMATIC NAME: N,N'-dimethyl-N,N',1,2-tetraphenyl-ethane-1,2-diamine
MOLECULAR FORMULA: C28H28N2
MOLECULAR WEIGHT: 392.53532
SMILES: CN(C1=CC=CC=C1)C(C2=CC=CC=C2)C(C3=CC=CC=C3)N(C)C4=CC=CC=C4
Structure:
CAS RN: 3678-20-4
CAS Name: bis(2,2-dimethyl-1-aziridinyl)-ethoxy-sulfanylidenephosphorane
OPENEYE Name: bis(2,2-dimethylaziridin-1-yl)-ethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: bis(2,2-dimethylaziridin-1-yl)-ethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: bis(2,2-dimethylaziridin-1-yl)-ethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C10H21N2OPS
MOLECULAR WEIGHT: 248.325301
SMILES: CCOP(=S)(N1CC1(C)C)N2CC2(C)C
Structure:
CAS RN: 5374-63-0
CAS Name: 5-amino-N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
OPENEYE Name: 5-amino-N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
IUPAC Name: 5-amino-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
SYSTEMATIC NAME: 5-azanyl-N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
MOLECULAR FORMULA: C26H25N7O2
MOLECULAR WEIGHT: 467.5224
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)N)C(=O)NC4=CC=C(C=C4)C5=NCCN5
Structure:
CAS RN: 1907-74-0
CAS Name: N-[bis(1-aziridinyl)phosphinothioyl]-N-ethylethanamine
OPENEYE Name: N-[bis(aziridin-1-yl)phosphinothioyl]-N-ethyl-ethanamine
IUPAC Name: N-[bis(aziridin-1-yl)phosphinothioyl]-N-ethylethanamine
SYSTEMATIC NAME: N-[bis(aziridin-1-yl)phosphinothioyl]-N-ethyl-ethanamine
MOLECULAR FORMULA: C8H18N3PS
MOLECULAR WEIGHT: 219.287381
SMILES: CCN(CC)P(=S)(N1CC1)N2CC2
Structure:
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