CAS RN: 69095-72-3
CAS Name: 3-(3-methoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
OPENEYE Name: 3-(3-methoxyphenyl)-5-(o-tolyl)-1H-1,2,4-triazole
IUPAC Name: 3-(3-methoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
SYSTEMATIC NAME: 3-(3-methoxyphenyl)-5-(2-methylphenyl)-1H-1,2,4-triazole
MOLECULAR FORMULA: C16H15N3O
MOLECULAR WEIGHT: 265.3098
SMILES: CC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)OC
Structure:
CAS RN: 40548-80-9
CAS Name: 2-[(3-amino-2,6-dioxo-1-piperidinyl)-oxomethyl]benzoic acid
OPENEYE Name: 2-(3-amino-2,6-dioxo-piperidine-1-carbonyl)benzoic acid
IUPAC Name: 2-(3-amino-2,6-dioxopiperidine-1-carbonyl)benzoic acid
SYSTEMATIC NAME: 2-[3-azanyl-2,6-bis(oxidanylidene)piperidin-1-yl]carbonylbenzoic acid
MOLECULAR FORMULA: C13H12N2O5
MOLECULAR WEIGHT: 276.24478
SMILES: C1CC(=O)N(C(=O)C1N)C(=O)C2=CC=CC=C2C(=O)O
Structure:
CAS RN: 65121-68-8
CAS Name: 2-[(3-amino-2,6-dioxo-1-piperidinyl)-oxomethyl]benzoic acid
OPENEYE Name: 2-(3-amino-2,6-dioxo-piperidine-1-carbonyl)benzoic acid
IUPAC Name: 2-(3-amino-2,6-dioxopiperidine-1-carbonyl)benzoic acid
SYSTEMATIC NAME: 2-[3-azanyl-2,6-bis(oxidanylidene)piperidin-1-yl]carbonylbenzoic acid
MOLECULAR FORMULA: C13H12N2O5
MOLECULAR WEIGHT: 276.24478
SMILES: C1CC(=O)N(C(=O)C1N)C(=O)C2=CC=CC=C2C(=O)O
Structure:
CAS RN: 36069-46-2
CAS Name: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methyl-2-piperidinyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
OPENEYE Name: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methyl-2-piperidyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
IUPAC Name: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
SYSTEMATIC NAME: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
MOLECULAR FORMULA: C27H45NO2
MOLECULAR WEIGHT: 415.6517
SMILES: C[C@H]1CC[C@@H](NC1)[C@@H](C)[C@H]2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O
Structure:
CAS RN: 38642-07-8
CAS Name: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methyl-2-piperidinyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
OPENEYE Name: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methyl-2-piperidyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
IUPAC Name: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
SYSTEMATIC NAME: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
MOLECULAR FORMULA: C27H45NO2
MOLECULAR WEIGHT: 415.6517
SMILES: C[C@H]1CC[C@@H](NC1)[C@@H](C)[C@H]2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O
Structure:
CAS RN: 65027-01-2
CAS Name: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methyl-2-piperidinyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
OPENEYE Name: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methyl-2-piperidyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
IUPAC Name: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
SYSTEMATIC NAME: (3S,8S,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
MOLECULAR FORMULA: C27H45NO2
MOLECULAR WEIGHT: 415.6517
SMILES: C[C@H]1CC[C@@H](NC1)[C@@H](C)[C@H]2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O
Structure:
CAS RN: 64959-26-8
CAS Name: 2-chloro-N-phenyl-1-naphthalenamine
OPENEYE Name: 2-chloro-N-phenyl-naphthalen-1-amine
IUPAC Name: 2-chloro-N-phenylnaphthalen-1-amine
SYSTEMATIC NAME: 2-chloranyl-N-phenyl-naphthalen-1-amine
MOLECULAR FORMULA: C16H12ClN
MOLECULAR WEIGHT: 253.72618
SMILES: C1=CC=C(C=C1)NC2=C(C=CC3=CC=CC=C32)Cl
Structure:
CAS RN: 83504-21-6
CAS Name: (4R)-4-[(8S,9S,10R,13R,14S,17R)-2,3,6,7-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(8S,9S,10R,13R,14S,17R)-2,3,6,7-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(8S,9S,10R,13R,14S,17R)-2,3,6,7-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3,6,7-tetrakis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H40O6
MOLECULAR WEIGHT: 424.5708
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C(C4[C@@]3(CC(C(C4)O)O)C)O)O)C
Structure:
CAS RN: 83487-87-0
CAS Name: 12-[(4-iodophenyl)sulfonylamino]dodecanoic acid
OPENEYE Name: 12-[(4-iodophenyl)sulfonylamino]dodecanoic acid
IUPAC Name: 12-[(4-iodophenyl)sulfonylamino]dodecanoic acid
SYSTEMATIC NAME: 12-[(4-iodophenyl)sulfonylamino]dodecanoic acid
MOLECULAR FORMULA: C18H28INO4S
MOLECULAR WEIGHT: 481.38869
SMILES: C1=CC(=CC=C1S(=O)(=O)NCCCCCCCCCCCC(=O)O)I
Structure:
CAS RN: 83487-86-9
CAS Name: 11-[(4-iodophenyl)sulfonylamino]undecanoic acid
OPENEYE Name: 11-[(4-iodophenyl)sulfonylamino]undecanoic acid
IUPAC Name: 11-[(4-iodophenyl)sulfonylamino]undecanoic acid
SYSTEMATIC NAME: 11-[(4-iodophenyl)sulfonylamino]undecanoic acid
MOLECULAR FORMULA: C17H26INO4S
MOLECULAR WEIGHT: 467.36211
SMILES: C1=CC(=CC=C1S(=O)(=O)NCCCCCCCCCCC(=O)O)I
Structure:
CAS RN: 83481-46-3
CAS Name: 2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]benzenesulfonic acid
OPENEYE Name: 2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]benzenesulfonic acid
IUPAC Name: 2-[[(2S)-2-amino-4-methylpentanoyl]amino]benzenesulfonic acid
SYSTEMATIC NAME: 2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]benzenesulfonic acid
MOLECULAR FORMULA: C12H18N2O4S
MOLECULAR WEIGHT: 286.34732
SMILES: CC(C)C[C@@H](C(=O)NC1=CC=CC=C1S(=O)(=O)O)N
Structure:
CAS RN: 83481-43-0
CAS Name: (3S,4S)-7-(hydroxymethyl)-3,4-dihydrobenzo[a]anthracene-3,4-diol
OPENEYE Name: (3S,4S)-7-(hydroxymethyl)-3,4-dihydrobenzo[a]anthracene-3,4-diol
IUPAC Name: (3S,4S)-7-(hydroxymethyl)-3,4-dihydrobenzo[a]anthracene-3,4-diol
SYSTEMATIC NAME: (3S,4S)-7-(hydroxymethyl)-3,4-dihydrobenzo[a]anthracene-3,4-diol
MOLECULAR FORMULA: C19H16O3
MOLECULAR WEIGHT: 292.32854
SMILES: C1=CC=C2C(=C1)C=C3C4=C(C=CC3=C2CO)[C@@H]([C@H](C=C4)O)O
Structure:
CAS RN: 83475-38-1
CAS Name: 4-hydroxy-5-(9-hydroxydeca-1,3,5,7-tetraynyl)-2-oxolanone
OPENEYE Name: 4-hydroxy-5-(9-hydroxydeca-1,3,5,7-tetraynyl)tetrahydrofuran-2-one
IUPAC Name: 4-hydroxy-5-(9-hydroxydeca-1,3,5,7-tetraynyl)oxolan-2-one
SYSTEMATIC NAME: 4-oxidanyl-5-(9-oxidanyldeca-1,3,5,7-tetraynyl)oxolan-2-one
MOLECULAR FORMULA: C14H10O4
MOLECULAR WEIGHT: 242.2268
SMILES: CC(C#CC#CC#CC#CC1C(CC(=O)O1)O)O
Structure:
CAS RN: 83475-37-0
CAS Name: 10-hydroxyundeca-2,4,6,8-tetraynamide
OPENEYE Name: 10-hydroxyundeca-2,4,6,8-tetraynamide
IUPAC Name: 10-hydroxyundeca-2,4,6,8-tetraynamide
SYSTEMATIC NAME: 10-oxidanylundeca-2,4,6,8-tetraynamide
MOLECULAR FORMULA: C11H7NO2
MOLECULAR WEIGHT: 185.17878
SMILES: CC(C#CC#CC#CC#CC(=O)N)O
Structure:
CAS RN: 83469-76-5
CAS Name: 6'-hydroxy-2'-methyl-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 6'-hydroxy-2'-methyl-spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 6'-hydroxy-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 2'-methyl-6'-oxidanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C21H14O4
MOLECULAR WEIGHT: 330.33346
SMILES: CC1=CC2=C(C=C1)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3)O
Structure:
CAS RN: 83456-59-1
CAS Name: 2-bromoacetic acid [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-bromoacetate
IUPAC Name: [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-bromoacetate
SYSTEMATIC NAME: [(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-bromanylethanoate
MOLECULAR FORMULA: C21H31BrO3
MOLECULAR WEIGHT: 411.37304
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OC(=O)CBr
Structure:
CAS RN: 88867-65-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24O2
MOLECULAR WEIGHT: 236.34986
SMILES: CC1(CCCC2(C3C1C(C2C=O)CC3)C)CO
Structure:
CAS RN: 83440-03-3
CAS Name: acetic acid 2-[[oxo(3-pyridinyl)methyl]amino]ethyl ester
OPENEYE Name: 2-(pyridine-3-carbonylamino)ethyl acetate
IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl acetate
SYSTEMATIC NAME: 2-(pyridin-3-ylcarbonylamino)ethyl ethanoate
MOLECULAR FORMULA: C10H12N2O3
MOLECULAR WEIGHT: 208.21388
SMILES: CC(=O)OCCNC(=O)C1=CN=CC=C1
Structure:
CAS RN: 83427-51-4
CAS Name: 5-[(2-chlorophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
OPENEYE Name: 5-[(2-chlorophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
IUPAC Name: 5-[(2-chlorophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
SYSTEMATIC NAME: 5-[(2-chlorophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
MOLECULAR FORMULA: C14H14ClNOS
MOLECULAR WEIGHT: 279.78506
SMILES: C1CN(CC2=CC(=O)SC21)CC3=CC=CC=C3Cl
Structure:
CAS RN: 88642-93-7
CAS Name: 2-hydroxy-4-methoxy-6-methylbenzoic acid [(2R,2aS,4aS,7aS,7bR)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] ester
OPENEYE Name: [(2R,2aS,4aS,7aS,7bR)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methyl-benzoate
IUPAC Name: [(2R,2aS,4aS,7aS,7bR)-3-formyl-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate
SYSTEMATIC NAME: [(2R,2aS,4aS,7aS,7bR)-3-methanoyl-6,6,7b-trimethyl-2a-oxidanyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl] 4-methoxy-2-methyl-6-oxidanyl-benzoate
MOLECULAR FORMULA: C24H30O6
MOLECULAR WEIGHT: 414.4914
SMILES: CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)O)C)O)OC
Structure:
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