CAS RN: 87080-93-1
CAS Name: 4-[[4-(dimethylamino)-5-[[4-hydroxy-6-methyl-5-[(6-methyl-5-oxo-2-oxanyl)oxy]-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-2-ethyl-2,5-dihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
OPENEYE Name: methyl 4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5-dihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
IUPAC Name: methyl 4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5-dihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
SYSTEMATIC NAME: methyl 4-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-(6-methyl-5-oxidanylidene-oxan-2-yl)oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-ethyl-2,5-bis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
MOLECULAR FORMULA: C42H53NO14
MOLECULAR WEIGHT: 795.86852
SMILES: CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O
Structure:
CAS RN: 87075-41-0
CAS Name: 1-(4-aminobutylamino)anthracene-9,10-dione
OPENEYE Name: 1-(4-aminobutylamino)anthracene-9,10-dione
IUPAC Name: 1-(4-aminobutylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-(4-azanylbutylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C18H18N2O2
MOLECULAR WEIGHT: 294.34772
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCCCN
Structure:
CAS RN: 87049-57-8
CAS Name: 4-[[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1-imidazolyl)propyl]thio]butanoic acid
OPENEYE Name: 4-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-yl-propyl]sulfanylbutanoic acid
IUPAC Name: 4-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-ylpropyl]sulfanylbutanoic acid
SYSTEMATIC NAME: 4-[2-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-oxidanyl-propyl]sulfanylbutanoic acid
MOLECULAR FORMULA: C16H18Cl2N2O3S
MOLECULAR WEIGHT: 389.29672
SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)(CSCCCC(=O)O)O
Structure:
CAS RN: 87049-56-7
CAS Name: 5-[[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1-imidazolyl)propyl]thio]pentanoic acid
OPENEYE Name: 5-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-yl-propyl]sulfanylpentanoic acid
IUPAC Name: 5-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-ylpropyl]sulfanylpentanoic acid
SYSTEMATIC NAME: 5-[2-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-oxidanyl-propyl]sulfanylpentanoic acid
MOLECULAR FORMULA: C17H20Cl2N2O3S
MOLECULAR WEIGHT: 403.3233
SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)(CSCCCCC(=O)O)O
Structure:
CAS RN: 87049-55-6
CAS Name: 5-[[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1-imidazolyl)propyl]thio]pentanoic acid ethyl ester
OPENEYE Name: ethyl 5-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-yl-propyl]sulfanylpentanoate
IUPAC Name: ethyl 5-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-ylpropyl]sulfanylpentanoate
SYSTEMATIC NAME: ethyl 5-[2-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-oxidanyl-propyl]sulfanylpentanoate
MOLECULAR FORMULA: C19H24Cl2N2O3S
MOLECULAR WEIGHT: 431.37646
SMILES: CCOC(=O)CCCCSCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
Structure:
CAS RN: 87049-53-4
CAS Name: 4-[[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1-imidazolyl)propyl]thio]butanoic acid ethyl ester
OPENEYE Name: ethyl 4-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-yl-propyl]sulfanylbutanoate
IUPAC Name: ethyl 4-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-ylpropyl]sulfanylbutanoate
SYSTEMATIC NAME: ethyl 4-[2-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-oxidanyl-propyl]sulfanylbutanoate
MOLECULAR FORMULA: C18H22Cl2N2O3S
MOLECULAR WEIGHT: 417.34988
SMILES: CCOC(=O)CCCSCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
Structure:
CAS RN: 87049-52-3
CAS Name: 2-[[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1-imidazolyl)propyl]thio]acetic acid
OPENEYE Name: 2-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-yl-propyl]sulfanylacetic acid
IUPAC Name: 2-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-ylpropyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[2-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-oxidanyl-propyl]sulfanylethanoic acid
MOLECULAR FORMULA: C14H14Cl2N2O3S
MOLECULAR WEIGHT: 361.24356
SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)(CSCC(=O)O)O
Structure:
CAS RN: 87049-51-2
CAS Name: 2-[[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1-imidazolyl)propyl]thio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-yl-propyl]sulfanylacetate
IUPAC Name: ethyl 2-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-ylpropyl]sulfanylacetate
SYSTEMATIC NAME: ethyl 2-[2-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-oxidanyl-propyl]sulfanylethanoate
MOLECULAR FORMULA: C16H18Cl2N2O3S
MOLECULAR WEIGHT: 389.29672
SMILES: CCOC(=O)CSCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
Structure:
CAS RN: 87049-35-2
CAS Name: 1-[2-(1-hydroxyethyl)-3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)-2-propanol dihydrochloride
OPENEYE Name: 1-[2-(1-hydroxyethyl)-3-[2-hydroxy-3-(isopropylamino)propoxy]phenoxy]-3-(isopropylamino)propan-2-ol dihydrochloride
IUPAC Name: 1-[2-(1-hydroxyethyl)-3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol dihydrochloride
SYSTEMATIC NAME: 1-[2-(1-hydroxyethyl)-3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol dihydrochloride
MOLECULAR FORMULA: C20H38Cl2N2O5
MOLECULAR WEIGHT: 457.43212
SMILES: CC(C)NCC(COC1=C(C(=CC=C1)OCC(CNC(C)C)O)C(C)O)O.Cl.Cl
Structure:
CAS RN: 87049-34-1
CAS Name: 1-[3-(1-hydroxyethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)-2-propanol dihydrochloride
OPENEYE Name: 1-[3-(1-hydroxyethyl)-4-[2-hydroxy-3-(isopropylamino)propoxy]phenoxy]-3-(isopropylamino)propan-2-ol dihydrochloride
IUPAC Name: 1-[3-(1-hydroxyethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol dihydrochloride
SYSTEMATIC NAME: 1-[3-(1-hydroxyethyl)-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol dihydrochloride
MOLECULAR FORMULA: C20H38Cl2N2O5
MOLECULAR WEIGHT: 457.43212
SMILES: CC(C)NCC(COC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(C)O)O.Cl.Cl
Structure:
CAS RN: 87049-33-0
CAS Name: 1-[4-(1-hydroxyethyl)-3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)-2-propanol dihydrochloride
OPENEYE Name: 1-[4-(1-hydroxyethyl)-3-[2-hydroxy-3-(isopropylamino)propoxy]phenoxy]-3-(isopropylamino)propan-2-ol dihydrochloride
IUPAC Name: 1-[4-(1-hydroxyethyl)-3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol dihydrochloride
SYSTEMATIC NAME: 1-[4-(1-hydroxyethyl)-3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol dihydrochloride
MOLECULAR FORMULA: C20H38Cl2N2O5
MOLECULAR WEIGHT: 457.43212
SMILES: CC(C)NCC(COC1=CC(=C(C=C1)C(C)O)OCC(CNC(C)C)O)O.Cl.Cl
Structure:
CAS RN: 87048-93-9
CAS Name: 1-[3-(1-hydroxyethyl)-4-(2-hydroxypropoxy)phenoxy]-2-propanol
OPENEYE Name: 1-[3-(1-hydroxyethyl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol
IUPAC Name: 1-[3-(1-hydroxyethyl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-[3-(1-hydroxyethyl)-4-(2-oxidanylpropoxy)phenoxy]propan-2-ol
MOLECULAR FORMULA: C14H22O5
MOLECULAR WEIGHT: 270.32148
SMILES: CC(COC1=CC(=C(C=C1)OCC(C)O)C(C)O)O
Structure:
CAS RN: 87033-43-0
CAS Name: 3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-carboxamide
OPENEYE Name: 3-chloro-5,6-dihydrobenzo[b][1]benzothiepine-6-carboxamide
IUPAC Name: 3-chloro-5,6-dihydrobenzo[b][1]benzothiepine-6-carboxamide
SYSTEMATIC NAME: 3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepine-6-carboxamide
MOLECULAR FORMULA: C15H12ClNOS
MOLECULAR WEIGHT: 289.77988
SMILES: C1C(C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C(=O)N
Structure:
CAS RN: 87033-42-9
CAS Name: 5,6-dihydrobenzo[b][1]benzothiepin-5-carboxamide
OPENEYE Name: 5,6-dihydrobenzo[b][1]benzothiepine-5-carboxamide
IUPAC Name: 5,6-dihydrobenzo[b][1]benzothiepine-5-carboxamide
SYSTEMATIC NAME: 5,6-dihydrobenzo[b][1]benzothiepine-5-carboxamide
MOLECULAR FORMULA: C15H13NOS
MOLECULAR WEIGHT: 255.33482
SMILES: C1C(C2=CC=CC=C2SC3=CC=CC=C31)C(=O)N
Structure:
CAS RN: 87007-79-2
CAS Name: 2-[2-(4-phenyl-1-piperazinyl)ethyl]aniline
OPENEYE Name: 2-[2-(4-phenylpiperazin-1-yl)ethyl]aniline
IUPAC Name: 2-[2-(4-phenylpiperazin-1-yl)ethyl]aniline
SYSTEMATIC NAME: 2-[2-(4-phenylpiperazin-1-yl)ethyl]aniline
MOLECULAR FORMULA: C18H23N3
MOLECULAR WEIGHT: 281.39532
SMILES: C1CN(CCN1CCC2=CC=CC=C2N)C3=CC=CC=C3
Structure:
CAS RN: 87003-23-4
CAS Name: 2-[[(E)-2-[[2-[[[2-[3-amino-2-[[3-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxobutyl]-4,5-dihydro-3H-pyridazin-3-yl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-4-carbamoyloxy-3-methyl-1-oxobut-2-enyl]amino]-3-hydroxypropanoic acid
OPENEYE Name: 2-[[(E)-2-[[2-[[2-[3-amino-2-[(3-amino-5-guanidino-pentanoyl)amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]-4-methyl-pentanoyl]amino]-4-carbamoyloxy-3-methyl-but-2-enoyl]amino]-3-hydroxy-propanoic acid
IUPAC Name: 2-[[(E)-2-[[2-[[2-[3-amino-2-[[3-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]-4-methylpentanoyl]amino]-4-carbamoyloxy-3-methylbut-2-enoyl]amino]-3-hydroxypropanoic acid
SYSTEMATIC NAME: 2-[[(E)-4-aminocarbonyloxy-2-[[2-[[2-[3-azanyl-2-[[3-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazin-3-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-methyl-but-2-enoyl]amino]-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C30H52N12O10
MOLECULAR WEIGHT: 740.80828
SMILES: CC(C)CC(C(=O)N/C(=C(\C)/COC(=O)N)/C(=O)NC(CO)C(=O)O)NC(=O)C1CCC=NN1C(=O)C(C(C)N)NC(=O)CC(CCN=C(N)N)N
Structure:
CAS RN: 86979-95-5
CAS Name: 2-phenyl-4-[2-(1-piperidinyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine trihydrochloride
OPENEYE Name: 2-phenyl-4-[2-(1-piperidyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine trihydrochloride
IUPAC Name: 2-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine trihydrochloride
SYSTEMATIC NAME: 2-phenyl-4-(2-piperidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine trihydrochloride
MOLECULAR FORMULA: C20H28Cl3N3O
MOLECULAR WEIGHT: 432.81482
SMILES: C1CCN(CC1)CCN2CC(OC3=C2N=CC=C3)C4=CC=CC=C4.Cl.Cl.Cl
Structure:
CAS RN: 86979-94-4
CAS Name: 4-[2-(4-morpholinyl)ethyl]-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine trihydrochloride
OPENEYE Name: 4-(2-morpholinoethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine trihydrochloride
IUPAC Name: 4-(2-morpholin-4-ylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine trihydrochloride
SYSTEMATIC NAME: 4-(2-morpholin-4-ylethyl)-2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazine trihydrochloride
MOLECULAR FORMULA: C19H26Cl3N3O2
MOLECULAR WEIGHT: 434.78764
SMILES: C1COCCN1CCN2CC(OC3=C2N=CC=C3)C4=CC=CC=C4.Cl.Cl.Cl
Structure:
CAS RN: 86979-93-3
CAS Name: N,N-diethyl-2-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine trihydrochloride
OPENEYE Name: N,N-diethyl-2-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine trihydrochloride
IUPAC Name: N,N-diethyl-2-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine trihydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanamine trihydrochloride
MOLECULAR FORMULA: C19H28Cl3N3O
MOLECULAR WEIGHT: 420.80412
SMILES: CCN(CC)CCN1CC(OC2=C1N=CC=C2)C3=CC=CC=C3.Cl.Cl.Cl
Structure:
CAS RN: 86979-90-0
CAS Name: 2-ethyl-4-[2-(4-morpholinyl)ethyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine trihydrochloride
OPENEYE Name: 2-ethyl-4-(2-morpholinoethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine trihydrochloride
IUPAC Name: 2-ethyl-4-(2-morpholin-4-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine trihydrochloride
SYSTEMATIC NAME: 2-ethyl-4-(2-morpholin-4-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine trihydrochloride
MOLECULAR FORMULA: C15H26Cl3N3O2
MOLECULAR WEIGHT: 386.74484
SMILES: CCC1CN(C2=C(O1)C=CC=N2)CCN3CCOCC3.Cl.Cl.Cl
Structure:
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