Wednesday, January 25, 2012

http://ChemLookup.com Compounds




CAS RN: 171507-26-9
CAS Name: 3-chlorobenzoic acid; diphenylmethanamine
OPENEYE Name: 3-chlorobenzoic acid; diphenylmethanamine
IUPAC Name: 3-chlorobenzoic acid; diphenylmethanamine
SYSTEMATIC NAME: 3-chloranylbenzoic acid; diphenylmethanamine
MOLECULAR FORMULA: C20H18ClNO2
MOLECULAR WEIGHT: 339.81542
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N.C1=CC(=CC(=C1)Cl)C(=O)O
Structure:

CAS RN: 171507-25-8
CAS Name: 2-chlorobenzoic acid; diphenylmethanamine
OPENEYE Name: 2-chlorobenzoic acid; diphenylmethanamine
IUPAC Name: 2-chlorobenzoic acid; diphenylmethanamine
SYSTEMATIC NAME: 2-chloranylbenzoic acid; diphenylmethanamine
MOLECULAR FORMULA: C20H18ClNO2
MOLECULAR WEIGHT: 339.81542
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N.C1=CC=C(C(=C1)C(=O)O)Cl
Structure:

CAS RN: 171507-24-7
CAS Name: diphenylmethanamine; 2-fluorobenzoic acid
OPENEYE Name: diphenylmethanamine; 2-fluorobenzoic acid
IUPAC Name: diphenylmethanamine; 2-fluorobenzoic acid
SYSTEMATIC NAME: diphenylmethanamine; 2-fluoranylbenzoic acid
MOLECULAR FORMULA: C20H18FNO2
MOLECULAR WEIGHT: 323.360823
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N.C1=CC=C(C(=C1)C(=O)O)F
Structure:

CAS RN: 171359-21-0
CAS Name: 2-(4-fluorophenyl)ethanamine; 3-[2-(4-fluorophenyl)ethylamino]-2-methyl-3-oxo-1-propanesulfinic acid
OPENEYE Name: 2-(4-fluorophenyl)ethanamine; 3-[2-(4-fluorophenyl)ethylamino]-2-methyl-3-oxo-propane-1-sulfinic acid
IUPAC Name: 2-(4-fluorophenyl)ethanamine; 3-[2-(4-fluorophenyl)ethylamino]-2-methyl-3-oxopropane-1-sulfinic acid
SYSTEMATIC NAME: 2-(4-fluorophenyl)ethanamine; 3-[2-(4-fluorophenyl)ethylamino]-2-methyl-3-oxidanylidene-propane-1-sulfinic acid
MOLECULAR FORMULA: C20H26F2N2O3S
MOLECULAR WEIGHT: 412.493846
SMILES: CC(CS(=O)O)C(=O)NCCC1=CC=C(C=C1)F.C1=CC(=CC=C1CCN)F
Structure:

CAS RN: 171359-19-6
CAS Name: 2-(4-fluorophenyl)ethanamine; 2-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]benzenesulfinic acid
OPENEYE Name: 2-(4-fluorophenyl)ethanamine; 2-[2-(4-fluorophenyl)ethylcarbamoyl]benzenesulfinic acid
IUPAC Name: 2-(4-fluorophenyl)ethanamine; 2-[2-(4-fluorophenyl)ethylcarbamoyl]benzenesulfinic acid
SYSTEMATIC NAME: 2-(4-fluorophenyl)ethanamine; 2-[2-(4-fluorophenyl)ethylcarbamoyl]benzenesulfinic acid
MOLECULAR FORMULA: C23H24F2N2O3S
MOLECULAR WEIGHT: 446.510066
SMILES: C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)F)S(=O)O.C1=CC(=CC=C1CCN)F
Structure:

CAS RN: 171359-17-4
CAS Name: 2-phenylethanamine; 3-sulfinopropanoic acid
OPENEYE Name: 2-phenylethanamine; 3-sulfinopropanoic acid
IUPAC Name: 2-phenylethanamine; 3-sulfinopropanoic acid
SYSTEMATIC NAME: 2-phenylethanamine; 3-sulfinopropanoic acid
MOLECULAR FORMULA: C19H28N2O4S
MOLECULAR WEIGHT: 380.50162
SMILES: C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CCN.C(CS(=O)O)C(=O)O
Structure:

CAS RN: 171359-16-3
CAS Name: 2-methyl-3-oxo-3-(2-phenylethylamino)-1-propanesulfinic acid; 2-phenylethanamine
OPENEYE Name: 2-methyl-3-oxo-3-(2-phenylethylamino)propane-1-sulfinic acid; 2-phenylethanamine
IUPAC Name: 2-methyl-3-oxo-3-(2-phenylethylamino)propane-1-sulfinic acid; 2-phenylethanamine
SYSTEMATIC NAME: 2-methyl-3-oxidanylidene-3-(2-phenylethylamino)propane-1-sulfinic acid; 2-phenylethanamine
MOLECULAR FORMULA: C20H28N2O3S
MOLECULAR WEIGHT: 376.51292
SMILES: CC(CS(=O)O)C(=O)NCCC1=CC=CC=C1.C1=CC=C(C=C1)CCN
Structure:

CAS RN: 171359-14-1
CAS Name: 4-oxo-4-(2-phenylethylamino)-2-butanesulfinic acid; 2-phenylethanamine
OPENEYE Name: 4-oxo-4-(2-phenylethylamino)butane-2-sulfinic acid; 2-phenylethanamine
IUPAC Name: 4-oxo-4-(2-phenylethylamino)butane-2-sulfinic acid; 2-phenylethanamine
SYSTEMATIC NAME: 4-oxidanylidene-4-(2-phenylethylamino)butane-2-sulfinic acid; 2-phenylethanamine
MOLECULAR FORMULA: C20H28N2O3S
MOLECULAR WEIGHT: 376.51292
SMILES: CC(CC(=O)NCCC1=CC=CC=C1)S(=O)O.C1=CC=C(C=C1)CCN
Structure:

CAS RN: 171359-12-9
CAS Name: 3-oxo-3-(2-phenylethylamino)-1-propanesulfinic acid; 2-phenylethanamine
OPENEYE Name: 3-oxo-3-(2-phenylethylamino)propane-1-sulfinic acid; 2-phenylethanamine
IUPAC Name: 3-oxo-3-(2-phenylethylamino)propane-1-sulfinic acid; 2-phenylethanamine
SYSTEMATIC NAME: 3-oxidanylidene-3-(2-phenylethylamino)propane-1-sulfinic acid; 2-phenylethanamine
MOLECULAR FORMULA: C19H26N2O3S
MOLECULAR WEIGHT: 362.48634
SMILES: C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CCNC(=O)CCS(=O)O
Structure:

CAS RN: 171261-30-6
CAS Name: N-butyl-3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
OPENEYE Name: N-butyl-3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
IUPAC Name: N-butyl-3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
SYSTEMATIC NAME: N-butyl-3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
MOLECULAR FORMULA: C21H33ClN2O
MOLECULAR WEIGHT: 364.95252
SMILES: CCCCN(C1CC2CCC(C1)N2C)C(=O)C3=CC(=CC(=C3)C)C.Cl
Structure:

CAS RN: 171261-29-3
CAS Name: N-butyl-3,4,5-trimethoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
OPENEYE Name: N-butyl-3,4,5-trimethoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
IUPAC Name: N-butyl-3,4,5-trimethoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
SYSTEMATIC NAME: N-butyl-3,4,5-trimethoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
MOLECULAR FORMULA: C22H35ClN2O4
MOLECULAR WEIGHT: 426.9773
SMILES: CCCCN(C1CC2CCC(C1)N2C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl
Structure:

CAS RN: 171261-28-2
CAS Name: N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
OPENEYE Name: N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
IUPAC Name: N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
SYSTEMATIC NAME: N-butyl-4-chloranyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
MOLECULAR FORMULA: C19H28Cl2N2O
MOLECULAR WEIGHT: 371.34442
SMILES: CCCCN(C1CC2CCC(C1)N2C)C(=O)C3=CC=C(C=C3)Cl.Cl
Structure:

CAS RN: 171261-27-1
CAS Name: N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
OPENEYE Name: N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
IUPAC Name: N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
SYSTEMATIC NAME: N-butyl-4-fluoranyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
MOLECULAR FORMULA: C19H28ClFN2O
MOLECULAR WEIGHT: 354.889823
SMILES: CCCCN(C1CC2CCC(C1)N2C)C(=O)C3=CC=C(C=C3)F.Cl
Structure:

CAS RN: 171261-26-0
CAS Name: N-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
OPENEYE Name: N-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
IUPAC Name: N-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
SYSTEMATIC NAME: N-butyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide hydrochloride
MOLECULAR FORMULA: C19H29ClN2O
MOLECULAR WEIGHT: 336.89936
SMILES: CCCCN(C1CC2CCC(C1)N2C)C(=O)C3=CC=CC=C3.Cl
Structure:

CAS RN: 171261-23-7
CAS Name: N-butyl-3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide; oxalic acid
OPENEYE Name: N-butyl-3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide; oxalic acid
IUPAC Name: N-butyl-3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide; oxalic acid
SYSTEMATIC NAME: N-butyl-3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide; ethanedioic acid
MOLECULAR FORMULA: C23H32N2O5
MOLECULAR WEIGHT: 416.51058
SMILES: CCCCN(C1=CC2CCC(C1)N2C)C(=O)C3=CC(=CC(=C3)C)C.C(=O)(C(=O)O)O
Structure:

CAS RN: 171261-21-5
CAS Name: N-butyl-3,4,5-trimethoxy-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
OPENEYE Name: N-butyl-3,4,5-trimethoxy-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
IUPAC Name: N-butyl-3,4,5-trimethoxy-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
SYSTEMATIC NAME: N-butyl-3,4,5-trimethoxy-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
MOLECULAR FORMULA: C22H33ClN2O4
MOLECULAR WEIGHT: 424.96142
SMILES: CCCCN(C1=CC2CCC(C1)N2C)C(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl
Structure:

CAS RN: 171261-19-1
CAS Name: N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
OPENEYE Name: N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
IUPAC Name: N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
SYSTEMATIC NAME: N-butyl-4-fluoranyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide hydrochloride
MOLECULAR FORMULA: C19H26ClFN2O
MOLECULAR WEIGHT: 352.873943
SMILES: CCCCN(C1=CC2CCC(C1)N2C)C(=O)C3=CC=C(C=C3)F.Cl
Structure:

CAS RN: 171259-65-7
CAS Name: (2S)-2-[[[(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[[(2S)-1,4-dimethoxy-1,4-dioxobutan-2-yl]amino]-oxomethyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]
OPENEYE Name: dimethyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(1S)-3-methoxy-1-methoxycarbonyl-3-oxo-propyl]carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-y
IUPAC Name: dimethyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(2S)-1,4-dimethoxy-1,4-dioxobutan-2-yl]carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-
SYSTEMATIC NAME: dimethyl (2S)-2-[[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(2S)-1,4-dimethoxy-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahy
MOLECULAR FORMULA: C60H89N3O25
MOLECULAR WEIGHT: 1252.35376
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)N[C@@H](CC(=O)OC)C(=O)OC)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)N[C@@H](CC(=O)OC)C(=O)OC)O)O)O)C)(C)C(=O)N[C@@H](CC(=O
Structure:

CAS RN: 171259-64-6
CAS Name: (2S)-1-[[(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[[(2S)-2-methoxycarbonyl-1-pyrrolidinyl]-oxomethyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-dihy
OPENEYE Name: methyl (2S)-1-[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-dihy
IUPAC Name: methyl (2S)-1-[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[(2S)-2-methoxycarbonylpyrrolidine-1-carbonyl]-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-4,5-dihy
SYSTEMATIC NAME: methyl (2S)-1-[(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]carbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]ox
MOLECULAR FORMULA: C60H89N3O19
MOLECULAR WEIGHT: 1156.35736
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)N7CCC[C@H]7C(=O)OC)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)N9CCC[C@H]9C(=O)OC)O)O)O)C)(C)C(=O)N1CCC[C@H]1C(=O)OC
Structure:

CAS RN: 171258-75-6
CAS Name: N-[[(diphenylmethyl)amino]-oxomethyl]-2-quinolinecarboxamide hydrochloride
OPENEYE Name: N-(benzhydrylcarbamoyl)quinoline-2-carboxamide hydrochloride
IUPAC Name: N-(benzhydrylcarbamoyl)quinoline-2-carboxamide hydrochloride
SYSTEMATIC NAME: N-[(diphenylmethyl)carbamoyl]quinoline-2-carboxamide hydrochloride
MOLECULAR FORMULA: C24H20ClN3O2
MOLECULAR WEIGHT: 417.8875
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC(=O)C3=NC4=CC=CC=C4C=C3.Cl
Structure:

CAS RN: 171258-74-5
CAS Name: N-[[(diphenylmethyl)amino]-oxomethyl]-3-pyridinecarboxamide hydrochloride
OPENEYE Name: N-(benzhydrylcarbamoyl)pyridine-3-carboxamide hydrochloride
IUPAC Name: N-(benzhydrylcarbamoyl)pyridine-3-carboxamide hydrochloride
SYSTEMATIC NAME: N-[(diphenylmethyl)carbamoyl]pyridine-3-carboxamide hydrochloride
MOLECULAR FORMULA: C20H18ClN3O2
MOLECULAR WEIGHT: 367.82882
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC(=O)C3=CN=CC=C3.Cl
Structure:

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