CAS RN: 145787-27-5
CAS Name: 4,6-dimethyl-1,1-dioxo-2-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-3-isothiazolo[5,4-b]pyridinone
OPENEYE Name: 4,6-dimethyl-1,1-dioxo-2-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]isothiazolo[5,4-b]pyridin-3-one
IUPAC Name: 4,6-dimethyl-1,1-dioxo-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
SYSTEMATIC NAME: 4,6-dimethyl-1,1-bis(oxidanylidene)-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
MOLECULAR FORMULA: C20H25N5O3S
MOLECULAR WEIGHT: 415.5092
SMILES: CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CCCN3CCN(CC3)C4=CC=CC=N4)C
Structure:
CAS RN: 145787-26-4
CAS Name: 4,6-dimethyl-1,1-dioxo-2-[3-(4-phenyl-1-piperazinyl)propyl]-3-isothiazolo[5,4-b]pyridinone
OPENEYE Name: 4,6-dimethyl-1,1-dioxo-2-[3-(4-phenylpiperazin-1-yl)propyl]isothiazolo[5,4-b]pyridin-3-one
IUPAC Name: 4,6-dimethyl-1,1-dioxo-2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
SYSTEMATIC NAME: 4,6-dimethyl-1,1-bis(oxidanylidene)-2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
MOLECULAR FORMULA: C21H26N4O3S
MOLECULAR WEIGHT: 414.52114
SMILES: CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CCCN3CCN(CC3)C4=CC=CC=C4)C
Structure:
CAS RN: 145759-35-9
CAS Name: N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide hydrochloride
OPENEYE Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide hydrochloride
IUPAC Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide hydrochloride
SYSTEMATIC NAME: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-N-methyl-1,2-benzothiazole-3-carboxamide hydrochloride
MOLECULAR FORMULA: C24H28ClN5OS2
MOLECULAR WEIGHT: 502.09502
SMILES: CN(CCCCN1CCN(CC1)C2=NSC3=CC=CC=C32)C(=O)C4=NSC5=CC=CC=C54.Cl
Structure:
CAS RN: 145759-34-8
CAS Name: N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-1,2-benzothiazole-3-carboxamide hydrochloride
OPENEYE Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1,2-benzothiazole-3-carboxamide hydrochloride
IUPAC Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1,2-benzothiazole-3-carboxamide hydrochloride
SYSTEMATIC NAME: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1,2-benzothiazole-3-carboxamide hydrochloride
MOLECULAR FORMULA: C23H26ClN5OS2
MOLECULAR WEIGHT: 488.06844
SMILES: C1CN(CCN1CCCCNC(=O)C2=NSC3=CC=CC=C32)C4=NSC5=CC=CC=C54.Cl
Structure:
CAS RN: 145697-93-4
CAS Name: (5R,6S)-3-[(1-acetyl-4-piperidinyl)thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: (5R,6S)-3-[(1-acetyl-4-piperidyl)sulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: (5R,6S)-3-(1-acetylpiperidin-4-yl)sulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (5R,6S)-3-(1-ethanoylpiperidin-4-yl)sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C16H22N2O5S
MOLECULAR WEIGHT: 354.42128
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SC3CCN(CC3)C(=O)C)O
Structure:
CAS RN: 145657-33-6
CAS Name: 3-(2,3-difluoroanilino)-1-cyclohex-2-enone
OPENEYE Name: 3-(2,3-difluoroanilino)cyclohex-2-en-1-one
IUPAC Name: 3-(2,3-difluoroanilino)cyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[[2,3-bis(fluoranyl)phenyl]amino]cyclohex-2-en-1-one
MOLECULAR FORMULA: C12H11F2NO
MOLECULAR WEIGHT: 223.218646
SMILES: C1CC(=CC(=O)C1)NC2=C(C(=CC=C2)F)F
Structure:
CAS RN: 145657-29-0
CAS Name: 3-(2-nitroanilino)-1-cyclohex-2-enone
OPENEYE Name: 3-(2-nitroanilino)cyclohex-2-en-1-one
IUPAC Name: 3-(2-nitroanilino)cyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[(2-nitrophenyl)amino]cyclohex-2-en-1-one
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: C1CC(=CC(=O)C1)NC2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 145657-26-7
CAS Name: 3-(2,3-dichloroanilino)-1-cyclohex-2-enone
OPENEYE Name: 3-(2,3-dichloroanilino)cyclohex-2-en-1-one
IUPAC Name: 3-(2,3-dichloroanilino)cyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[[2,3-bis(chloranyl)phenyl]amino]cyclohex-2-en-1-one
MOLECULAR FORMULA: C12H11Cl2NO
MOLECULAR WEIGHT: 256.12784
SMILES: C1CC(=CC(=O)C1)NC2=C(C(=CC=C2)Cl)Cl
Structure:
CAS RN: 145611-62-7
CAS Name: N-[(2S)-4-methyl-1-oxo-1-[[6-oxo-6-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)hexyl]amino]pentan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S)-3-methyl-1-[[6-oxo-6-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)hexyl]carbamoyl]butyl]carbamate
IUPAC Name: tert-butyl N-[(2S)-4-methyl-1-oxo-1-[[6-oxo-6-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)hexyl]amino]pentan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-4-methyl-1-oxidanylidene-1-[[6-oxidanylidene-6-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)hexyl]amino]pentan-2-yl]carbamate
MOLECULAR FORMULA: C31H51N3O8
MOLECULAR WEIGHT: 593.75194
SMILES: CC(C)C[C@@H](C(=O)NCCCCCC(=O)N1CCOCCOC2=CC=CC=C2OCCOCC1)NC(=O)OC(C)(C)C
Structure:
CAS RN: 145594-64-5
CAS Name: (4S)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[(2R)-2-hydroxypropyl] ester O3-methyl ester
OPENEYE Name: O5-[(2R)-2-hydroxypropyl] O3-methyl (4S)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 5-O-[(2R)-2-hydroxypropyl] 3-O-methyl (4S)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O3-methyl O5-[(2R)-2-oxidanylpropyl] (4S)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C19H22N2O7
MOLECULAR WEIGHT: 390.38718
SMILES: CC1=C([C@@H](C(=C(N1)C)C(=O)OC[C@@H](C)O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 145594-63-4
CAS Name: (4R)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[(2R)-2-hydroxypropyl] ester O3-methyl ester
OPENEYE Name: O5-[(2R)-2-hydroxypropyl] O3-methyl (4R)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 5-O-[(2R)-2-hydroxypropyl] 3-O-methyl (4R)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O3-methyl O5-[(2R)-2-oxidanylpropyl] (4R)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C19H22N2O7
MOLECULAR WEIGHT: 390.38718
SMILES: CC1=C([C@H](C(=C(N1)C)C(=O)OC[C@@H](C)O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 145594-62-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H9Cl2NO4
MOLECULAR WEIGHT: 338.14226
SMILES: C1C2=C(C(C3=C(N2)COC3=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)O1
Structure:
CAS RN: 145594-61-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H13NO5
MOLECULAR WEIGHT: 299.27812
SMILES: COC1=CC=C(C=C1)C2C3=C(COC3=O)NC4=C2C(=O)OC4
Structure:
CAS RN: 145594-60-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H10INO4
MOLECULAR WEIGHT: 395.14867
SMILES: C1C2=C(C(C3=C(N2)COC3=O)C4=CC=C(C=C4)I)C(=O)O1
Structure:
CAS RN: 145594-59-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H10BrNO4
MOLECULAR WEIGHT: 348.1482
SMILES: C1C2=C(C(C3=C(N2)COC3=O)C4=CC=C(C=C4)Br)C(=O)O1
Structure:
CAS RN: 145594-58-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H10BrNO4
MOLECULAR WEIGHT: 348.1482
SMILES: C1C2=C(C(C3=C(N2)COC3=O)C4=CC(=CC=C4)Br)C(=O)O1
Structure:
CAS RN: 145594-43-0
CAS Name: (2S)-N-[(2S)-3-(4H-imidazol-4-yl)-1-oxo-1-[[oxo-[(2S)-1-[6-oxo-6-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexyl]-2-pyrrolidinyl]methyl]amino]propan-2-yl]-5-oxo-2-pyrrolidinecarboxamide hydrochloride
OPENEYE Name: (2S)-N-[(1S)-1-(4H-imidazol-4-ylmethyl)-2-oxo-2-[[(2S)-1-[6-oxo-6-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexyl]pyrrolidine-2-carbonyl]amino]ethyl]-5-oxo-pyrrolidine-2-carboxamide hydrochloride
IUPAC Name: (2S)-N-[(2S)-3-(4H-imidazol-4-yl)-1-oxo-1-[[(2S)-1-[6-oxo-6-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexyl]pyrrolidine-2-carbonyl]amino]propan-2-yl]-5-oxopyrrolidine-2-carboxamide hydrochloride
SYSTEMATIC NAME: (2S)-N-[(2S)-3-(4H-imidazol-4-yl)-1-oxidanylidene-1-[[(2S)-1-[6-oxidanylidene-6-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexyl]pyrrolidin-2-yl]carbonylamino]propan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide hydrochloride
MOLECULAR FORMULA: C32H52ClN7O9
MOLECULAR WEIGHT: 714.24978
SMILES: C1C[C@H](N(C1)CCCCCC(=O)N2CCOCCOCCOCCOCC2)C(=O)NC(=O)[C@H](CC3C=NC=N3)NC(=O)[C@@H]4CCC(=O)N4.Cl
Structure:
CAS RN: 145594-21-4
CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-[[(2S)-2-[[(2S)-4-methyl-1-oxo-1-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)pentan-2-yl]amino]-1-oxo-3-phenylpropyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide hydrochlo
OPENEYE Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-methyl-2-[[2-[[(2S)-2-[[(1S)-3-methyl-1-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene-8-carbonyl)butyl]amino]-3-phenyl-propanoyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]propanamide hydrochlori
IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-[[(2S)-2-[[(2S)-4-methyl-1-oxo-1-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)pentan-2-yl]amino]-3-phenylpropanoyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide hydrochlorid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-[[(2S)-2-[[(2S)-4-methyl-1-oxidanylidene-1-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)pentan-2-yl]amino]-3-phenyl-propanoyl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pr
MOLECULAR FORMULA: C43H59ClN6O10
MOLECULAR WEIGHT: 855.41576
SMILES: C[C@H](C(=O)NCC(=O)NC(=O)[C@H](CC1=CC=CC=C1)N[C@@H](CC(C)C)C(=O)N2CCOCCOC3=CC=CC=C3OCCOCC2)NC(=O)[C@H](CC4=CC=C(C=C4)O)N.Cl
Structure:
CAS RN: 145594-19-0
CAS Name: (2S)-2-[[2-[[(2R)-2-[[(2S)-3-[4-[(2-methylpropan-2-yl)oxy-oxomethoxy]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-tert-butoxycarbonyloxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[2-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[2-[[(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C33H44N4O10
MOLECULAR WEIGHT: 656.72326
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Structure:
CAS RN: 145594-18-9
CAS Name: N-[6-oxo-6-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)hexyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[6-oxo-6-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)hexyl]carbamate
IUPAC Name: tert-butyl N-[6-oxo-6-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)hexyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[6-oxidanylidene-6-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)hexyl]carbamate
MOLECULAR FORMULA: C25H40N2O7
MOLECULAR WEIGHT: 480.5943
SMILES: CC(C)(C)OC(=O)NCCCCCC(=O)N1CCOCCOC2=CC=CC=C2OCCOCC1
Structure:
CAS RN: 145594-17-8
CAS Name: N-[(2S)-4-methyl-1-oxo-1-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)pentan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S)-3-methyl-1-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-triene-8-carbonyl)butyl]carbamate
IUPAC Name: tert-butyl N-[(2S)-4-methyl-1-oxo-1-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)pentan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-4-methyl-1-oxidanylidene-1-(2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-8-yl)pentan-2-yl]carbamate
MOLECULAR FORMULA: C25H40N2O7
MOLECULAR WEIGHT: 480.5943
SMILES: CC(C)C[C@@H](C(=O)N1CCOCCOC2=CC=CC=C2OCCOCC1)NC(=O)OC(C)(C)C
Structure:
CAS RN: 145511-51-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19ClN2
MOLECULAR WEIGHT: 262.77776
SMILES: CC1=CC2=C(C=C1)N3CCN[C@@H]4C3=C2CCC4.Cl
Structure:
CAS RN: 145511-50-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19ClN2
MOLECULAR WEIGHT: 262.77776
SMILES: CC1=CC2=C(C=C1)N3CCN[C@H]4C3=C2CCC4.Cl
Structure:
CAS RN: 145510-85-6
CAS Name: 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
OPENEYE Name: 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
IUPAC Name: 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(4-bromophenyl)-4-oxidanyl-5-oxidanylidene-1-phenyl-2H-pyrrol-3-yl]ethanoic acid
MOLECULAR FORMULA: C18H14BrNO4
MOLECULAR WEIGHT: 388.21206
SMILES: C1=CC=C(C=C1)N2C(C(=C(C2=O)O)CC(=O)O)C3=CC=C(C=C3)Br
Structure:
CAS RN: 145488-32-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H10FNO4
MOLECULAR WEIGHT: 287.242603
SMILES: C1C2=C(C(C3=C(N2)COC3=O)C4=CC=CC=C4F)C(=O)O1
Structure:
CAS RN: 145441-35-6
CAS Name: 6-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl(dimethyl)ammonio]hexanoate
OPENEYE Name: 6-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl(dimethyl)ammonio]hexanoate
IUPAC Name: 6-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl(dimethyl)azaniumyl]hexanoate
SYSTEMATIC NAME: 6-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl-dimethyl-azaniumyl]hexanoate
MOLECULAR FORMULA: C19H22F17NO2
MOLECULAR WEIGHT: 619.356334
SMILES: C[N+](C)(CCCCCC(=O)[O-])CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 145441-34-5
CAS Name: 5-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl(dimethyl)ammonio]pentanoate
OPENEYE Name: 5-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl(dimethyl)ammonio]pentanoate
IUPAC Name: 5-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl(dimethyl)azaniumyl]pentanoate
SYSTEMATIC NAME: 5-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl-dimethyl-azaniumyl]pentanoate
MOLECULAR FORMULA: C18H20F17NO2
MOLECULAR WEIGHT: 605.329754
SMILES: C[N+](C)(CCCCC(=O)[O-])CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 145441-33-4
CAS Name: 4-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl(dimethyl)ammonio]butanoate
OPENEYE Name: 4-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl(dimethyl)ammonio]butanoate
IUPAC Name: 4-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl(dimethyl)azaniumyl]butanoate
SYSTEMATIC NAME: 4-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl-dimethyl-azaniumyl]butanoate
MOLECULAR FORMULA: C17H18F17NO2
MOLECULAR WEIGHT: 591.303174
SMILES: C[N+](C)(CCCC(=O)[O-])CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 145441-31-2
CAS Name: 2-[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)ammonio]acetate
OPENEYE Name: 2-[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)ammonio]acetate
IUPAC Name: 2-[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)azaniumyl]acetate
SYSTEMATIC NAME: 2-[dimethyl-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]azaniumyl]ethanoate
MOLECULAR FORMULA: C12H12F13NO2
MOLECULAR WEIGHT: 449.208422
SMILES: C[N+](C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-]
Structure:
CAS RN: 145441-30-1
CAS Name: 2-[dimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)ammonio]acetate
OPENEYE Name: 2-[dimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)ammonio]acetate
IUPAC Name: 2-[dimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)azaniumyl]acetate
SYSTEMATIC NAME: 2-[dimethyl-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)hexyl]azaniumyl]ethanoate
MOLECULAR FORMULA: C10H12F9NO2
MOLECULAR WEIGHT: 349.193409
SMILES: C[N+](C)(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-]
Structure:
CAS RN: 145441-15-2
CAS Name: 5-methyl-N-(2-pyrimidinyl)-3-isoxazolecarboxamide
OPENEYE Name: 5-methyl-N-pyrimidin-2-yl-isoxazole-3-carboxamide
IUPAC Name: 5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide
SYSTEMATIC NAME: 5-methyl-N-pyrimidin-2-yl-1,2-oxazole-3-carboxamide
MOLECULAR FORMULA: C9H8N4O2
MOLECULAR WEIGHT: 204.18542
SMILES: CC1=CC(=NO1)C(=O)NC2=NC=CC=N2
Structure:
CAS RN: 145441-14-1
CAS Name: 5-methyl-N-(2,4,6-trimethyl-3-pyridinyl)-3-isoxazolecarboxamide
OPENEYE Name: 5-methyl-N-(2,4,6-trimethyl-3-pyridyl)isoxazole-3-carboxamide
IUPAC Name: 5-methyl-N-(2,4,6-trimethylpyridin-3-yl)-1,2-oxazole-3-carboxamide
SYSTEMATIC NAME: 5-methyl-N-(2,4,6-trimethylpyridin-3-yl)-1,2-oxazole-3-carboxamide
MOLECULAR FORMULA: C13H15N3O2
MOLECULAR WEIGHT: 245.2771
SMILES: CC1=CC(=NC(=C1NC(=O)C2=NOC(=C2)C)C)C
Structure:
CAS RN: 145441-13-0
CAS Name: N-(3,5-dimethyl-4-pyridinyl)-5-methyl-3-isoxazolecarboxamide
OPENEYE Name: N-(3,5-dimethyl-4-pyridyl)-5-methyl-isoxazole-3-carboxamide
IUPAC Name: N-(3,5-dimethylpyridin-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
SYSTEMATIC NAME: N-(3,5-dimethylpyridin-4-yl)-5-methyl-1,2-oxazole-3-carboxamide
MOLECULAR FORMULA: C12H13N3O2
MOLECULAR WEIGHT: 231.25052
SMILES: CC1=CC(=NO1)C(=O)NC2=C(C=NC=C2C)C
Structure:
CAS RN: 145441-12-9
CAS Name: 5-[(2,6-dimethylanilino)-oxomethyl]-3-isoxazolecarboxylic acid methyl ester
OPENEYE Name: methyl 5-[(2,6-dimethylphenyl)carbamoyl]isoxazole-3-carboxylate
IUPAC Name: methyl 5-[(2,6-dimethylphenyl)carbamoyl]-1,2-oxazole-3-carboxylate
SYSTEMATIC NAME: methyl 5-[(2,6-dimethylphenyl)carbamoyl]-1,2-oxazole-3-carboxylate
MOLECULAR FORMULA: C14H14N2O4
MOLECULAR WEIGHT: 274.27196
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=NO2)C(=O)OC
Structure:
CAS RN: 145441-11-8
CAS Name: 3-methyl-N-(2,4,6-trimethylphenyl)-5-isoxazolecarboxamide
OPENEYE Name: 3-methyl-N-(2,4,6-trimethylphenyl)isoxazole-5-carboxamide
IUPAC Name: 3-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-5-carboxamide
SYSTEMATIC NAME: 3-methyl-N-(2,4,6-trimethylphenyl)-1,2-oxazole-5-carboxamide
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)C2=CC(=NO2)C)C
Structure:
CAS RN: 145441-10-7
CAS Name: N-(2,6-dimethylphenyl)-3-(hydroxymethyl)-5-isoxazolecarboxamide
OPENEYE Name: N-(2,6-dimethylphenyl)-3-(hydroxymethyl)isoxazole-5-carboxamide
IUPAC Name: N-(2,6-dimethylphenyl)-3-(hydroxymethyl)-1,2-oxazole-5-carboxamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-3-(hydroxymethyl)-1,2-oxazole-5-carboxamide
MOLECULAR FORMULA: C13H14N2O3
MOLECULAR WEIGHT: 246.26186
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=NO2)CO
Structure:
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