CAS RN: 69928-43-4
CAS Name: 1-butyl-4-methoxy-1-methyl-4-(phenylmethyl)piperazine-1,4-diium diiodide
OPENEYE Name: 1-benzyl-4-butyl-1-methoxy-4-methyl-piperazine-1,4-diium diiodide
IUPAC Name: 1-benzyl-4-butyl-1-methoxy-4-methylpiperazine-1,4-diium diiodide
SYSTEMATIC NAME: 1-butyl-4-methoxy-1-methyl-4-(phenylmethyl)piperazine-1,4-diium diiodide
MOLECULAR FORMULA: C17H30I2N2O
MOLECULAR WEIGHT: 532.24184
SMILES: CCCC[N+]1(CC[N+](CC1)(CC2=CC=CC=C2)OC)C.[I-].[I-]
Structure:
CAS RN: 69928-41-2
CAS Name: 4-morpholinyl-[2,3,4-trimethoxy-5-[4-morpholinyl(oxo)methyl]phenyl]methanone
OPENEYE Name: morpholino-[2,3,4-trimethoxy-5-(morpholine-4-carbonyl)phenyl]methanone
IUPAC Name: morpholin-4-yl-[2,3,4-trimethoxy-5-(morpholine-4-carbonyl)phenyl]methanone
SYSTEMATIC NAME: morpholin-4-yl-(2,3,4-trimethoxy-5-morpholin-4-ylcarbonyl-phenyl)methanone
MOLECULAR FORMULA: C19H26N2O7
MOLECULAR WEIGHT: 394.41894
SMILES: COC1=C(C(=C(C=C1C(=O)N2CCOCC2)C(=O)N3CCOCC3)OC)OC
Structure:
CAS RN: 69928-35-4
CAS Name: 2-[ethyl-(phenylmethyl)amino]ethanol hydrochloride
OPENEYE Name: 2-[benzyl(ethyl)amino]ethanol hydrochloride
IUPAC Name: 2-[benzyl(ethyl)amino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[ethyl-(phenylmethyl)amino]ethanol hydrochloride
MOLECULAR FORMULA: C11H18ClNO
MOLECULAR WEIGHT: 215.71972
SMILES: CCN(CCO)CC1=CC=CC=C1.Cl
Structure:
CAS RN: 69928-34-3
CAS Name: 1,4-diethyl-1,4-bis(1-naphthalenylmethyl)piperazine-1,4-diium dichloride
OPENEYE Name: 1,4-diethyl-1,4-bis(1-naphthylmethyl)piperazine-1,4-diium dichloride
IUPAC Name: 1,4-diethyl-1,4-bis(naphthalen-1-ylmethyl)piperazine-1,4-diium dichloride
SYSTEMATIC NAME: 1,4-diethyl-1,4-bis(naphthalen-1-ylmethyl)piperazine-1,4-diium dichloride
MOLECULAR FORMULA: C30H36Cl2N2
MOLECULAR WEIGHT: 495.52624
SMILES: CC[N+]1(CC[N+](CC1)(CC)CC2=CC=CC3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54.[Cl-].[Cl-]
Structure:
CAS RN: 69928-31-0
CAS Name: 2-pentyl-4,5-dihydro-1H-imidazole hydrochloride
OPENEYE Name: 2-pentyl-4,5-dihydro-1H-imidazole hydrochloride
IUPAC Name: 2-pentyl-4,5-dihydro-1H-imidazole hydrochloride
SYSTEMATIC NAME: 2-pentyl-4,5-dihydro-1H-imidazole hydrochloride
MOLECULAR FORMULA: C8H17ClN2
MOLECULAR WEIGHT: 176.68698
SMILES: CCCCCC1=NCCN1.Cl
Structure:
CAS RN: 69928-29-6
CAS Name: 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione hydrochloride
OPENEYE Name: 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione hydrochloride
IUPAC Name: 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione hydrochloride
SYSTEMATIC NAME: 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione hydrochloride
MOLECULAR FORMULA: C7H14ClN3S
MOLECULAR WEIGHT: 207.72416
SMILES: CN(C)CCN1C=CNC1=S.Cl
Structure:
CAS RN: 69915-63-5
CAS Name: 2-[[[1-methyl-4-(4-methylpentyl)cyclohexyl]-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[(4-isohexyl-1-methyl-cyclohexanecarbonyl)amino]acetic acid
IUPAC Name: 2-[[1-methyl-4-(4-methylpentyl)cyclohexanecarbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[1-methyl-4-(4-methylpentyl)cyclohexyl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C16H29NO3
MOLECULAR WEIGHT: 283.40636
SMILES: CC(C)CCCC1CCC(CC1)(C)C(=O)NCC(=O)O
Structure:
CAS RN: 69885-00-3
CAS Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid; 2-propanamine
OPENEYE Name: 3-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid; propan-2-amine
IUPAC Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid; propan-2-amine
SYSTEMATIC NAME: 3-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid; propan-2-amine
MOLECULAR FORMULA: C15H24Cl2N2O2
MOLECULAR WEIGHT: 335.26926
SMILES: CC1=C(C=C(C=C1)C(=O)O)N(CCCl)CCCl.CC(C)N
Structure:
CAS RN: 69884-99-7
CAS Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid; phenylmethanamine
OPENEYE Name: 3-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid; phenylmethanamine
IUPAC Name: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid; phenylmethanamine
SYSTEMATIC NAME: 3-[bis(2-chloroethyl)amino]-4-methyl-benzoic acid; phenylmethanamine
MOLECULAR FORMULA: C19H24Cl2N2O2
MOLECULAR WEIGHT: 383.31206
SMILES: CC1=C(C=C(C=C1)C(=O)O)N(CCCl)CCCl.C1=CC=C(C=C1)CN
Structure:
CAS RN: 69884-95-3
CAS Name: 3-[bis(2-chloroethyl)amino]benzenesulfonic acid phenyl ester
OPENEYE Name: phenyl 3-[bis(2-chloroethyl)amino]benzenesulfonate
IUPAC Name: phenyl 3-[bis(2-chloroethyl)amino]benzenesulfonate
SYSTEMATIC NAME: phenyl 3-[bis(2-chloroethyl)amino]benzenesulfonate
MOLECULAR FORMULA: C16H17Cl2NO3S
MOLECULAR WEIGHT: 374.28208
SMILES: C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)N(CCCl)CCCl
Structure:
CAS RN: 69883-99-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H38O9
MOLECULAR WEIGHT: 566.63872
SMILES: CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)COC(=O)C)O)C)O)OC(=O)CC5=CC=C(C=C5)OC(=O)C
Structure:
CAS RN: 69881-89-6
CAS Name: 8-methyl-4-oxa-1-azaspiro[4.5]decane
OPENEYE Name: 8-methyl-4-oxa-1-azaspiro[4.5]decane
IUPAC Name: 8-methyl-4-oxa-1-azaspiro[4.5]decane
SYSTEMATIC NAME: 8-methyl-4-oxa-1-azaspiro[4.5]decane
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: CC1CCC2(CC1)NCCO2
Structure:
CAS RN: 69859-82-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H27BrN2O3
MOLECULAR WEIGHT: 435.35468
SMILES: CC[N+](C)(C)CCOC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.[Br-]
Structure:
CAS RN: 69853-71-0
CAS Name: (8S,9S,10R,13R,14S,17R)-6-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13R,14S,17R)-6-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C27H44O2
MOLECULAR WEIGHT: 400.63706
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(C4=CC(=O)CC[C@]34C)O)C
Structure:
CAS RN: 69853-15-2
CAS Name: hydron; morpholine; tin(4+); hexachloride
OPENEYE Name: stannic; hydron; morpholine; hexachloride
IUPAC Name: hydron; morpholine; tin(4+); hexachloride
SYSTEMATIC NAME: hydron; morpholine; tin(4+); hexachloride
MOLECULAR FORMULA: C8H20Cl6N2O2Sn
MOLECULAR WEIGHT: 507.6846
SMILES: [H+].[H+].C1COCCN1.C1COCCN1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4]
Structure:
CAS RN: 69853-09-4
CAS Name: hydron; piperidine; tin(4+); hexachloride
OPENEYE Name: stannic; hydron; piperidine; hexachloride
IUPAC Name: hydron; piperidine; tin(4+); hexachloride
SYSTEMATIC NAME: hydron; piperidine; tin(4+); hexachloride
MOLECULAR FORMULA: C10H24Cl6N2Sn
MOLECULAR WEIGHT: 503.73896
SMILES: [H+].[H+].C1CCNCC1.C1CCNCC1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4]
Structure:
CAS RN: 69847-93-4
CAS Name: 2-[[7-(trifluoromethylthio)-4-quinolinyl]amino]benzoic acid 2-[4-[3-(trifluoromethylthio)phenyl]-1-piperazinyl]ethyl ester dihydrochloride
OPENEYE Name: 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)-4-quinolyl]amino]benzoate dihydrochloride
IUPAC Name: 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate dihydrochloride
SYSTEMATIC NAME: 2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate dihydrochloride
MOLECULAR FORMULA: C30H28Cl2F6N4O2S2
MOLECULAR WEIGHT: 725.595339
SMILES: C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)SC(F)(F)F)C5=CC(=CC=C5)SC(F)(F)F.Cl.Cl
Structure:
CAS RN: 69847-87-6
CAS Name: 6-ethenyl-9-oxo-1H-pyrazolo[3,4-f]quinoline-8-carboxylic acid
OPENEYE Name: 9-oxo-6-vinyl-1H-pyrazolo[3,4-f]quinoline-8-carboxylic acid
IUPAC Name: 6-ethenyl-9-oxo-1H-pyrazolo[3,4-f]quinoline-8-carboxylic acid
SYSTEMATIC NAME: 6-ethenyl-9-oxidanylidene-1H-pyrazolo[3,4-f]quinoline-8-carboxylic acid
MOLECULAR FORMULA: C13H9N3O3
MOLECULAR WEIGHT: 255.22886
SMILES: C=CN1C=C(C(=O)C2=C1C=CC3=C2NN=C3)C(=O)O
Structure:
CAS RN: 69846-08-8
CAS Name: N-[2-(4-chlorophenoxy)-2-methylpropyl]-3-pyridinecarboxamide
OPENEYE Name: N-[2-(4-chlorophenoxy)-2-methyl-propyl]pyridine-3-carboxamide
IUPAC Name: N-[2-(4-chlorophenoxy)-2-methylpropyl]pyridine-3-carboxamide
SYSTEMATIC NAME: N-[2-(4-chloranylphenoxy)-2-methyl-propyl]pyridine-3-carboxamide
MOLECULAR FORMULA: C16H17ClN2O2
MOLECULAR WEIGHT: 304.77138
SMILES: CC(C)(CNC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl
Structure:
CAS RN: 69846-01-1
CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-propanamine hydrochloride
OPENEYE Name: 2-(4-chlorophenoxy)-2-methyl-propan-1-amine hydrochloride
IUPAC Name: 2-(4-chlorophenoxy)-2-methylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-2-methyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C10H15Cl2NO
MOLECULAR WEIGHT: 236.1382
SMILES: CC(C)(CN)OC1=CC=C(C=C1)Cl.Cl
Structure:
CAS RN: 69844-19-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28N2O3
MOLECULAR WEIGHT: 368.46932
SMILES: CCN(CC)CCCOC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
Structure:
CAS RN: 69844-18-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25ClN2O3
MOLECULAR WEIGHT: 376.8771
SMILES: CN(C)CCCOC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.Cl
Structure:
CAS RN: 69844-17-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23ClN2O3
MOLECULAR WEIGHT: 362.85052
SMILES: CN(C)CCOC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.Cl
Structure:
CAS RN: 69844-16-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H34N2O10
MOLECULAR WEIGHT: 546.56626
SMILES: CCN(CC)CCOC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 69844-14-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25ClN2O4
MOLECULAR WEIGHT: 404.8872
SMILES: C1COCCN1CCOC2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5.Cl
Structure:
CAS RN: 69844-13-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H27ClN2O3
MOLECULAR WEIGHT: 402.91438
SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5.Cl
Structure:
CAS RN: 69838-72-8
CAS Name: 2-[[8-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl ester dihydrochloride
OPENEYE Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoate dihydrochloride
IUPAC Name: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate dihydrochloride
SYSTEMATIC NAME: 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate dihydrochloride
MOLECULAR FORMULA: C30H28Cl2F6N4O2
MOLECULAR WEIGHT: 661.465339
SMILES: C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C5=CC=CC(=C5)C(F)(F)F.Cl.Cl
Structure:
CAS RN: 69838-71-7
CAS Name: 2-[[8-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl ester dihydrochloride
OPENEYE Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoate dihydrochloride
IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate dihydrochloride
SYSTEMATIC NAME: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoate dihydrochloride
MOLECULAR FORMULA: C29H28Cl3F3N4O2
MOLECULAR WEIGHT: 627.91243
SMILES: C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C5=CC(=CC=C5)Cl.Cl.Cl
Structure:
CAS RN: 69838-67-1
CAS Name: 2-[(7-chloro-2-methyl-4-quinolinyl)amino]benzoic acid 2-(4-phenyl-1-piperazinyl)ethyl ester dihydrochloride
OPENEYE Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[(7-chloro-2-methyl-4-quinolyl)amino]benzoate dihydrochloride
IUPAC Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[(7-chloro-2-methylquinolin-4-yl)amino]benzoate dihydrochloride
SYSTEMATIC NAME: 2-(4-phenylpiperazin-1-yl)ethyl 2-[(7-chloranyl-2-methyl-quinolin-4-yl)amino]benzoate dihydrochloride
MOLECULAR FORMULA: C29H31Cl3N4O2
MOLECULAR WEIGHT: 573.94104
SMILES: CC1=NC2=C(C=CC(=C2)Cl)C(=C1)NC3=CC=CC=C3C(=O)OCCN4CCN(CC4)C5=CC=CC=C5.Cl.Cl
Structure:
CAS RN: 69838-66-0
CAS Name: 2-[(7-chloro-4-quinolinyl)amino]benzoic acid 3-(4-phenyl-1-piperazinyl)propyl ester dihydrochloride
OPENEYE Name: 3-(4-phenylpiperazin-1-yl)propyl 2-[(7-chloro-4-quinolyl)amino]benzoate dihydrochloride
IUPAC Name: 3-(4-phenylpiperazin-1-yl)propyl 2-[(7-chloroquinolin-4-yl)amino]benzoate dihydrochloride
SYSTEMATIC NAME: 3-(4-phenylpiperazin-1-yl)propyl 2-[(7-chloranylquinolin-4-yl)amino]benzoate dihydrochloride
MOLECULAR FORMULA: C29H31Cl3N4O2
MOLECULAR WEIGHT: 573.94104
SMILES: C1CN(CCN1CCCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl)C5=CC=CC=C5.Cl.Cl
Structure:
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