CAS RN: 105279-00-3
CAS Name: N,N-diethyl-2-methyl-3-(2-phenyl-4-quinolinyl)propanamide
OPENEYE Name: N,N-diethyl-2-methyl-3-(2-phenyl-4-quinolyl)propanamide
IUPAC Name: N,N-diethyl-2-methyl-3-(2-phenylquinolin-4-yl)propanamide
SYSTEMATIC NAME: N,N-diethyl-2-methyl-3-(2-phenylquinolin-4-yl)propanamide
MOLECULAR FORMULA: C23H26N2O
MOLECULAR WEIGHT: 346.46534
SMILES: CCN(CC)C(=O)C(C)CC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3
Structure:
CAS RN: 105219-69-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H20ClN5O2S
MOLECULAR WEIGHT: 441.9338
SMILES: C1COCCN1C(=O)CCC2=CC3=C(S2)N4C=NN=C4CN=C3C5=CC=CC=C5Cl
Structure:
CAS RN: 105234-89-7
CAS Name: 6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
OPENEYE Name: 6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
IUPAC Name: 6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
SYSTEMATIC NAME: 6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
MOLECULAR FORMULA: C18H18ClN
MOLECULAR WEIGHT: 283.79522
SMILES: C1CC2C3=CC=CC=C3C(CN2C1)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 105219-59-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H24ClN5O2S
MOLECULAR WEIGHT: 481.99766
SMILES: C1CC1C2=NN=C3N2C4=C(C=C(S4)CCC(=O)N5CCOCC5)C(=NC3)C6=CC=CC=C6Cl
Structure:
CAS RN: 68130-28-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H48O7
MOLECULAR WEIGHT: 520.69792
SMILES: C[C@H]1C[C@@]2([C@]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C[C@@H]([C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@H](C6)O)OC(=O)C)C)O)C)(C)O)OC1(C)C
Structure:
CAS RN: 68039-71-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H54O11
MOLECULAR WEIGHT: 674.81806
SMILES: C[C@@H]1CC2(C3C(O3)(C(O2)O)C)O[C@@H]4[C@H]1[C@]5([C@H](CC67C[C@@]68CCC(C(C8CC=C7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C
Structure:
CAS RN: 66176-93-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H54O11
MOLECULAR WEIGHT: 674.81806
SMILES: C[C@@H]1CC2(C3C(O3)(C(O2)O)C)O[C@@H]4[C@H]1[C@]5([C@H](CC67C[C@@]68CCC(C(C8CC=C7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C
Structure:
CAS RN: 103373-69-9
CAS Name: N-bromo-N-phenylacetamide
OPENEYE Name: N-bromo-N-phenyl-acetamide
IUPAC Name: N-bromo-N-phenylacetamide
SYSTEMATIC NAME: N-bromanyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C8H8BrNO
MOLECULAR WEIGHT: 214.05922
SMILES: CC(=O)N(C1=CC=CC=C1)Br
Structure:
CAS RN: 103360-62-9
CAS Name: 5-methyl-1-phenyl-2-[3-(1-piperidinyl)propylamino]-1-hexanol
OPENEYE Name: 5-methyl-1-phenyl-2-[3-(1-piperidyl)propylamino]hexan-1-ol
IUPAC Name: 5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
SYSTEMATIC NAME: 5-methyl-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
MOLECULAR FORMULA: C21H36N2O
MOLECULAR WEIGHT: 332.52334
SMILES: CC(C)CCC(C(C1=CC=CC=C1)O)NCCCN2CCCCC2
Structure:
CAS RN: 103347-61-1
CAS Name: 7-amino-1-chloro-5,6,7,8-tetrahydronaphthalene-2,3-diol
OPENEYE Name: 2-amino-8-chloro-tetralin-6,7-diol
IUPAC Name: 7-amino-1-chloro-5,6,7,8-tetrahydronaphthalene-2,3-diol
SYSTEMATIC NAME: 7-azanyl-1-chloranyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
MOLECULAR FORMULA: C10H12ClNO2
MOLECULAR WEIGHT: 213.66078
SMILES: C1CC2=CC(=C(C(=C2CC1N)Cl)O)O
Structure:
CAS RN: 103300-77-2
CAS Name: (2S)-1-[(2S)-2-amino-3-[(4S)-1-methyl-2-oxo-4-[oxo-(6-oxo-1H-pyrimidin-2-yl)methyl]-4-imidazolidinyl]-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-amino-3-[(4S)-1-methyl-2-oxo-4-(6-oxo-1H-pyrimidine-2-carbonyl)imidazolidin-4-yl]propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-amino-3-[(4S)-1-methyl-2-oxo-4-(6-oxo-1H-pyrimidine-2-carbonyl)imidazolidin-4-yl]propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-azanyl-3-[(4S)-1-methyl-2-oxidanylidene-4-[(6-oxidanylidene-1H-pyrimidin-2-yl)carbonyl]imidazolidin-4-yl]propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C17H22N6O6
MOLECULAR WEIGHT: 406.39318
SMILES: CN1C[C@@](NC1=O)(C[C@@H](C(=O)N2CCC[C@H]2C(=O)O)N)C(=O)C3=NC=CC(=O)N3
Structure:
CAS RN: 103284-48-6
CAS Name: 3-octyl-3-pyridin-4-ylpiperidine-2,6-dione
OPENEYE Name: 3-octyl-3-(4-pyridyl)piperidine-2,6-dione
IUPAC Name: 3-octyl-3-pyridin-4-ylpiperidine-2,6-dione
SYSTEMATIC NAME: 3-octyl-3-pyridin-4-yl-piperidine-2,6-dione
MOLECULAR FORMULA: C18H26N2O2
MOLECULAR WEIGHT: 302.41124
SMILES: CCCCCCCCC1(CCC(=O)NC1=O)C2=CC=NC=C2
Structure:
CAS RN: 103246-12-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: COC1=C(C=C2C(=C1)C=[N+]3CCC4=C3C2=CC(=C4)[O-])OC
Structure:
CAS RN: 103244-42-4
CAS Name: (1R,5R,5aS,9aS,9bS)-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[g]isobenzofuran-1,5,9b-triol
OPENEYE Name: (1R,5R,5aS,9aS,9bS)-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[g]isobenzofuran-1,5,9b-triol
IUPAC Name: (1R,5R,5aS,9aS,9bS)-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[g][2]benzofuran-1,5,9b-triol
SYSTEMATIC NAME: (1R,5R,5aS,9aS,9bS)-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[g][2]benzofuran-1,5,9b-triol
MOLECULAR FORMULA: C15H24O4
MOLECULAR WEIGHT: 268.34866
SMILES: C[C@]12CCCC([C@@H]1[C@@H](C=C3[C@@]2([C@@H](OC3)O)O)O)(C)C
Structure:
CAS RN: 103237-51-0
CAS Name: 19-[(2-acetamido-1-oxo-3-phenylpropyl)amino]-10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carboxamide
OPENEYE Name: 19-[(2-acetamido-3-phenyl-propanoyl)amino]-10-(4-aminobutyl)-N-(1-carbamoyl-2-hydroxy-propyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
IUPAC Name: 19-[(2-acetamido-3-phenylpropanoyl)amino]-10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
SYSTEMATIC NAME: 19-[(2-acetamido-3-phenyl-propanoyl)amino]-10-(4-azanylbutyl)-N-(1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentakis(oxidanylidene)-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloi
MOLECULAR FORMULA: C52H69N11O11S2
MOLECULAR WEIGHT: 1088.30136
SMILES: CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C)C(=O)NC(C(C)O)C(=O)N
Structure:
CAS RN: 65792-05-4
CAS Name: 6-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methyl-1-oxobutyl)-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methyl-phenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one
IUPAC Name: 6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-(2-methylbutanoyl)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[[3-butanoyl-4-methoxy-5-methyl-2,6-bis(oxidanyl)phenyl]methyl]-4,6-dimethyl-2-(2-methylbutanoyl)-3,5-bis(oxidanyl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C26H34O8
MOLECULAR WEIGHT: 474.54336
SMILES: CCCC(=O)C1=C(C(=C(C(=C1O)CC2(C(=C(C(=C(C2=O)C(=O)C(C)CC)O)C)O)C)O)C)OC
Structure:
CAS RN: 103232-21-9
CAS Name: (3S,8S,9S,10R,11S,13R,14S,17S)-3,11-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carboxaldehyde
OPENEYE Name: (3S,8S,9S,10R,11S,13R,14S,17S)-3,11-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde
IUPAC Name: (3S,8S,9S,10R,11S,13R,14S,17S)-3,11-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde
SYSTEMATIC NAME: (3S,8S,9S,10R,11S,13R,14S,17S)-10-methyl-3,11-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde
MOLECULAR FORMULA: C21H30O5
MOLECULAR WEIGHT: 362.4599
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O)O
Structure:
CAS RN: 103215-29-8
CAS Name: bis(1-benzotriazolyloxy)-methylphosphine
OPENEYE Name: bis(benzotriazol-1-yloxy)-methyl-phosphane
IUPAC Name: bis(benzotriazol-1-yloxy)-methylphosphane
SYSTEMATIC NAME: bis(benzotriazol-1-yloxy)-methyl-phosphane
MOLECULAR FORMULA: C13H11N6O2P
MOLECULAR WEIGHT: 314.239201
SMILES: CP(ON1C2=CC=CC=C2N=N1)ON3C4=CC=CC=C4N=N3
Structure:
CAS RN: 103213-38-3
CAS Name: (2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C17H25N3O4
MOLECULAR WEIGHT: 335.3981
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)CN
Structure:
CAS RN: 103192-44-5
CAS Name: sodium [2-[1-(2-amino-6-oxo-3H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate
OPENEYE Name: sodium [2-[1-(2-amino-6-oxo-3H-purin-9-yl)-2-oxo-ethoxy]-3-oxo-propyl] dihydrogen phosphate
IUPAC Name: sodium [2-[1-(2-amino-6-oxo-3H-purin-9-yl)-2-oxoethoxy]-3-oxopropyl] dihydrogen phosphate
SYSTEMATIC NAME: sodium [2-[1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl] dihydrogen phosphate
MOLECULAR FORMULA: C10H12N5NaO8P+
MOLECULAR WEIGHT: 384.194511
SMILES: C1=NC2=C(N1C(C=O)OC(COP(=O)(O)O)C=O)NC(=NC2=O)N.[Na+]
Structure:
CAS RN: 103183-79-5
CAS Name: 2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-isopropoxy-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate
IUPAC Name: ethyl 2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate
MOLECULAR FORMULA: C22H23F3N2O3
MOLECULAR WEIGHT: 420.42483
SMILES: CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3C(F)(F)F)C(=NC=C2)OC(C)C)C
Structure:
CAS RN: 126661-07-2
CAS Name: 2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-isopropoxy-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate
IUPAC Name: ethyl 2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate
MOLECULAR FORMULA: C22H23F3N2O3
MOLECULAR WEIGHT: 420.42483
SMILES: CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3C(F)(F)F)C(=NC=C2)OC(C)C)C
Structure:
CAS RN: 103183-65-9
CAS Name: (2R)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-1-(1,2,4-triazol-1-yl)-2-butanol
OPENEYE Name: (2R)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
IUPAC Name: (2R)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
SYSTEMATIC NAME: (2R)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
MOLECULAR FORMULA: C16H20ClN3O
MOLECULAR WEIGHT: 305.8025
SMILES: CC(C)(C1CC1)[C@](CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O
Structure:
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