CAS RN: 34047-66-0
CAS Name: 5-acetamido-2,3,4-trihydroxy-6-oxohexanoic acid
OPENEYE Name: 5-acetamido-2,3,4-trihydroxy-6-oxo-hexanoic acid
IUPAC Name: 5-acetamido-2,3,4-trihydroxy-6-oxohexanoic acid
SYSTEMATIC NAME: 5-acetamido-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexanoic acid
MOLECULAR FORMULA: C8H13NO7
MOLECULAR WEIGHT: 235.19132
SMILES: CC(=O)NC(C=O)C(C(C(C(=O)O)O)O)O
Structure:
CAS RN: 62327-70-2
CAS Name: N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]octanamide
OPENEYE Name: N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]octanamide
IUPAC Name: N-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]octanamide
SYSTEMATIC NAME: N-[6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]octanamide
MOLECULAR FORMULA: C35H43NO11
MOLECULAR WEIGHT: 653.71602
SMILES: CCCCCCCC(=O)NC1CC(OC(C1O)C)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O
Structure:
CAS RN: 64463-27-0
CAS Name: 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolinyl)-3-methyl-2-pyridinecarboxylic acid
OPENEYE Name: 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-2-quinolyl)-3-methyl-pyridine-2-carboxylic acid
IUPAC Name: 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-3-methylpyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-azanyl-6-[7-azanyl-6-methoxy-5,8-bis(oxidanylidene)quinolin-2-yl]-3-methyl-pyridine-2-carboxylic acid
MOLECULAR FORMULA: C17H14N4O5
MOLECULAR WEIGHT: 354.31686
SMILES: CC1=CC(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N
Structure:
CAS RN: 79692-29-8
CAS Name: N-[5-(diethylamino)pentan-2-yl]-N-[4-[5-(diethylamino)pentan-2-yl-(1-oxohexadecyl)amino]butyl]hexadecanamide
OPENEYE Name: N-[4-(diethylamino)-1-methyl-butyl]-N-[4-[[4-(diethylamino)-1-methyl-butyl]-hexadecanoyl-amino]butyl]hexadecanamide
IUPAC Name: N-[5-(diethylamino)pentan-2-yl]-N-[4-[5-(diethylamino)pentan-2-yl-hexadecanoylamino]butyl]hexadecanamide
SYSTEMATIC NAME: N-[5-(diethylamino)pentan-2-yl]-N-[4-[5-(diethylamino)pentan-2-yl-hexadecanoyl-amino]butyl]hexadecanamide
MOLECULAR FORMULA: C54H110N4O2
MOLECULAR WEIGHT: 847.4768
SMILES: CCCCCCCCCCCCCCCC(=O)N(CCCCN(C(C)CCCN(CC)CC)C(=O)CCCCCCCCCCCCCCC)C(C)CCCN(CC)CC
Structure:
CAS RN: 79692-32-3
CAS Name: N-[3-(dimethylamino)propyl]-N-[4-[3-(dimethylamino)propyl-(1-oxohexadecyl)amino]but-2-ynyl]hexadecanamide
OPENEYE Name: N-[3-(dimethylamino)propyl]-N-[4-[3-(dimethylamino)propyl-hexadecanoyl-amino]but-2-ynyl]hexadecanamide
IUPAC Name: N-[3-(dimethylamino)propyl]-N-[4-[3-(dimethylamino)propyl-hexadecanoylamino]but-2-ynyl]hexadecanamide
SYSTEMATIC NAME: N-[3-(dimethylamino)propyl]-N-[4-[3-(dimethylamino)propyl-hexadecanoyl-amino]but-2-ynyl]hexadecanamide
MOLECULAR FORMULA: C46H90N4O2
MOLECULAR WEIGHT: 731.2324
SMILES: CCCCCCCCCCCCCCCC(=O)N(CCCN(C)C)CC#CCN(CCCN(C)C)C(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 79692-22-1
CAS Name: N-[3-(dimethylamino)propyl]-N-[5-[3-(dimethylamino)propyl-(1-oxohexadecyl)amino]-2,5-dimethylhexan-2-yl]hexadecanamide
OPENEYE Name: N-[3-(dimethylamino)propyl]-N-[4-[3-(dimethylamino)propyl-hexadecanoyl-amino]-1,1,4-trimethyl-pentyl]hexadecanamide
IUPAC Name: N-[3-(dimethylamino)propyl]-N-[5-[3-(dimethylamino)propyl-hexadecanoylamino]-2,5-dimethylhexan-2-yl]hexadecanamide
SYSTEMATIC NAME: N-[3-(dimethylamino)propyl]-N-[5-[3-(dimethylamino)propyl-hexadecanoyl-amino]-2,5-dimethyl-hexan-2-yl]hexadecanamide
MOLECULAR FORMULA: C50H102N4O2
MOLECULAR WEIGHT: 791.37048
SMILES: CCCCCCCCCCCCCCCC(=O)N(CCCN(C)C)C(C)(C)CCC(C)(C)N(CCCN(C)C)C(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 1011-47-8
CAS Name: 1-(2-quinolinyl)ethanone
OPENEYE Name: 1-(2-quinolyl)ethanone
IUPAC Name: 1-quinolin-2-ylethanone
SYSTEMATIC NAME: 1-quinolin-2-ylethanone
MOLECULAR FORMULA: C11H9NO
MOLECULAR WEIGHT: 171.19526
SMILES: CC(=O)C1=NC2=CC=CC=C2C=C1
Structure:
CAS RN: 31309-66-7
CAS Name: 4-(4-aminophenyl)-1-bromo-3-isoquinolinamine
OPENEYE Name: 4-(4-aminophenyl)-1-bromo-isoquinolin-3-amine
IUPAC Name: 4-(4-aminophenyl)-1-bromoisoquinolin-3-amine
SYSTEMATIC NAME: 4-(4-aminophenyl)-1-bromanyl-isoquinolin-3-amine
MOLECULAR FORMULA: C15H12BrN3
MOLECULAR WEIGHT: 314.17988
SMILES: C1=CC=C2C(=C1)C(=C(N=C2Br)N)C3=CC=C(C=C3)N
Structure:
CAS RN: 31309-65-6
CAS Name: 1-bromo-4-(4-nitrophenyl)-3-isoquinolinamine
OPENEYE Name: 1-bromo-4-(4-nitrophenyl)isoquinolin-3-amine
IUPAC Name: 1-bromo-4-(4-nitrophenyl)isoquinolin-3-amine
SYSTEMATIC NAME: 1-bromanyl-4-(4-nitrophenyl)isoquinolin-3-amine
MOLECULAR FORMULA: C15H10BrN3O2
MOLECULAR WEIGHT: 344.1628
SMILES: C1=CC=C2C(=C1)C(=C(N=C2Br)N)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 31309-67-8
CAS Name: 4-(4-aminophenyl)-3-isoquinolinamine
OPENEYE Name: 4-(4-aminophenyl)isoquinolin-3-amine
IUPAC Name: 4-(4-aminophenyl)isoquinolin-3-amine
SYSTEMATIC NAME: 4-(4-aminophenyl)isoquinolin-3-amine
MOLECULAR FORMULA: C15H13N3
MOLECULAR WEIGHT: 235.28382
SMILES: C1=CC=C2C(=C1)C=NC(=C2C3=CC=C(C=C3)N)N
Structure:
CAS RN: 31309-64-5
CAS Name: 2-[cyano-(4-nitrophenyl)methyl]benzonitrile
OPENEYE Name: 2-[cyano-(4-nitrophenyl)methyl]benzonitrile
IUPAC Name: 2-[cyano-(4-nitrophenyl)methyl]benzonitrile
SYSTEMATIC NAME: 2-[cyano-(4-nitrophenyl)methyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H9N3O2
MOLECULAR WEIGHT: 263.25086
SMILES: C1=CC=C(C(=C1)C#N)C(C#N)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 15001-93-1
CAS Name: (3S,8R,9S,10S,13R,14S)-3-[[3,4-dihydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde
OPENEYE Name: (3S,8R,9S,10S,13R,14S)-3-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
IUPAC Name: (3S,8R,9S,10S,13R,14S)-3-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,8R,9S,10S,13R,14S)-3-[5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-13-methyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C34H48O14
MOLECULAR WEIGHT: 680.73652
SMILES: C[C@]12CC[C@H]3[C@H]([C@]1(CCC2C4=CC(=O)OC4)O)CCC5=C[C@H](CC[C@]35C=O)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O
Structure:
CAS RN: 78586-33-1
CAS Name: acetic acid [3,4-diacetyloxy-5-(4-chloro-1-pyrazolo[3,4-d]pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(4-chloranylpyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H17ClN4O7
MOLECULAR WEIGHT: 412.78178
SMILES: CC(=O)OCC1C(C(C(O1)N2C3=C(C=N2)C(=NC=N3)Cl)OC(=O)C)OC(=O)C
Structure:
CAS RN: 500890-58-4
CAS Name: 1-(2-nitrophenyl)-2-imidazolidinone
OPENEYE Name: 1-(2-nitrophenyl)imidazolidin-2-one
IUPAC Name: 1-(2-nitrophenyl)imidazolidin-2-one
SYSTEMATIC NAME: 1-(2-nitrophenyl)imidazolidin-2-one
MOLECULAR FORMULA: C9H9N3O3
MOLECULAR WEIGHT: 207.18606
SMILES: C1CN(C(=O)N1)C2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 89518-83-2
CAS Name: 1-(4-nitrophenyl)-2-imidazolidinone
OPENEYE Name: 1-(4-nitrophenyl)imidazolidin-2-one
IUPAC Name: 1-(4-nitrophenyl)imidazolidin-2-one
SYSTEMATIC NAME: 1-(4-nitrophenyl)imidazolidin-2-one
MOLECULAR FORMULA: C9H9N3O3
MOLECULAR WEIGHT: 207.18606
SMILES: C1CN(C(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 58977-05-2
CAS Name: 5,6,11,12-tetramethoxy-3,4-dihydro-1H-tetracen-2-one
OPENEYE Name: 5,6,11,12-tetramethoxy-3,4-dihydro-1H-tetracen-2-one
IUPAC Name: 5,6,11,12-tetramethoxy-3,4-dihydro-1H-tetracen-2-one
SYSTEMATIC NAME: 5,6,11,12-tetramethoxy-3,4-dihydro-1H-tetracen-2-one
MOLECULAR FORMULA: C22H22O5
MOLECULAR WEIGHT: 366.40708
SMILES: COC1=C2CCC(=O)CC2=C(C3=C(C4=CC=CC=C4C(=C31)OC)OC)OC
Structure:
CAS RN: 57428-15-6
CAS Name: 2-methylene-4-oxabicyclo[3.3.1]nonan-3-one
OPENEYE Name: 2-methylene-4-oxabicyclo[3.3.1]nonan-3-one
IUPAC Name: 2-methylidene-4-oxabicyclo[3.3.1]nonan-3-one
SYSTEMATIC NAME: 2-methylidene-4-oxabicyclo[3.3.1]nonan-3-one
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: C=C1C2CCCC(C2)OC1=O
Structure:
CAS RN: 731-48-6
CAS Name: 2-cyano-3,3-diphenyl-2-propenamide
OPENEYE Name: 2-cyano-3,3-diphenyl-prop-2-enamide
IUPAC Name: 2-cyano-3,3-diphenylprop-2-enamide
SYSTEMATIC NAME: 2-cyano-3,3-diphenyl-prop-2-enamide
MOLECULAR FORMULA: C16H12N2O
MOLECULAR WEIGHT: 248.27928
SMILES: C1=CC=C(C=C1)C(=C(C#N)C(=O)N)C2=CC=CC=C2
Structure:
CAS RN: 3531-30-4
CAS Name: 4,4-diphenylpiperidine-2,6-dione
OPENEYE Name: 4,4-diphenylpiperidine-2,6-dione
IUPAC Name: 4,4-diphenylpiperidine-2,6-dione
SYSTEMATIC NAME: 4,4-diphenylpiperidine-2,6-dione
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: C1C(=O)NC(=O)CC1(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 54806-89-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H27N3
MOLECULAR WEIGHT: 429.55548
SMILES: C1CCCC2=NN3C(=C2CC1)C(=C(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 36103-48-7
CAS Name: 1,2-bis(trifluoromethyl)spiro[cyclopropene-3,9'-fluorene]
OPENEYE Name: 1,2-bis(trifluoromethyl)spiro[cyclopropene-3,9'-fluorene]
IUPAC Name: 1,2-bis(trifluoromethyl)spiro[cyclopropene-3,9'-fluorene]
SYSTEMATIC NAME: 1,2-bis(trifluoromethyl)spiro[cyclopropene-3,9'-fluorene]
MOLECULAR FORMULA: C17H8F6
MOLECULAR WEIGHT: 326.235839
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=C4C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 54415-24-6
CAS Name: (2-benzoyl-4,5,6-triphenyl-3-pyrazolo[1,5-a]pyridinyl)-phenylmethanone
OPENEYE Name: (2-benzoyl-4,5,6-triphenyl-pyrazolo[1,5-a]pyridin-3-yl)-phenyl-methanone
IUPAC Name: (2-benzoyl-4,5,6-triphenylpyrazolo[1,5-a]pyridin-3-yl)-phenylmethanone
SYSTEMATIC NAME: phenyl-[4,5,6-triphenyl-2-(phenylcarbonyl)pyrazolo[1,5-a]pyridin-3-yl]methanone
MOLECULAR FORMULA: C39H26N2O2
MOLECULAR WEIGHT: 554.63594
SMILES: C1=CC=C(C=C1)C2=CN3C(=C(C(=N3)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=C2C6=CC=CC=C6)C7=CC=CC=C7
Structure:
CAS RN: 37944-48-2
CAS Name: 4,5,6,7-tetrachloro-2-pyrazolo[1,5-a]pyridinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4,5,6,7-tetrachloropyrazolo[1,5-a]pyridine-2-carboxylate
IUPAC Name: ethyl 4,5,6,7-tetrachloropyrazolo[1,5-a]pyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 4,5,6,7-tetrakis(chloranyl)pyrazolo[1,5-a]pyridine-2-carboxylate
MOLECULAR FORMULA: C10H6Cl4N2O2
MOLECULAR WEIGHT: 327.97884
SMILES: CCOC(=O)C1=NN2C(=C1)C(=C(C(=C2Cl)Cl)Cl)Cl
Structure:
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