CAS RN: 23659-69-0
CAS Name: 2,3,3-triphenyl-1-isoindolone
OPENEYE Name: 2,3,3-triphenylisoindolin-1-one
IUPAC Name: 2,3,3-triphenylisoindol-1-one
SYSTEMATIC NAME: 2,3,3-triphenylisoindol-1-one
MOLECULAR FORMULA: C26H19NO
MOLECULAR WEIGHT: 361.43516
SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 19196-51-1
CAS Name: 3-amino-4,5-dihydroxyhexanal
OPENEYE Name: 3-amino-4,5-dihydroxy-hexanal
IUPAC Name: 3-amino-4,5-dihydroxyhexanal
SYSTEMATIC NAME: 3-azanyl-4,5-bis(oxidanyl)hexanal
MOLECULAR FORMULA: C6H13NO3
MOLECULAR WEIGHT: 147.17232
SMILES: CC(C(C(CC=O)N)O)O
Structure:
CAS RN: 809-40-5
CAS Name: 9,10,10-triphenyl-9H-anthracene
OPENEYE Name: 9,10,10-triphenyl-9H-anthracene
IUPAC Name: 9,10,10-triphenyl-9H-anthracene
SYSTEMATIC NAME: 9,10,10-triphenyl-9H-anthracene
MOLECULAR FORMULA: C32H24
MOLECULAR WEIGHT: 408.53296
SMILES: C1=CC=C(C=C1)C2C3=CC=CC=C3C(C4=CC=CC=C24)(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 1155-77-7
CAS Name: 1,2,3,4-tetrachloro-7,7-dimethoxy-5-phenylbicyclo[2.2.1]hepta-2,5-diene
OPENEYE Name: 1,2,3,4-tetrachloro-7,7-dimethoxy-5-phenyl-bicyclo[2.2.1]hepta-2,5-diene
IUPAC Name: 1,2,3,4-tetrachloro-7,7-dimethoxy-5-phenylbicyclo[2.2.1]hepta-2,5-diene
SYSTEMATIC NAME: 1,2,3,4-tetrakis(chloranyl)-7,7-dimethoxy-5-phenyl-bicyclo[2.2.1]hepta-2,5-diene
MOLECULAR FORMULA: C15H12Cl4O2
MOLECULAR WEIGHT: 366.06658
SMILES: COC1(C2(C=C(C1(C(=C2Cl)Cl)Cl)C3=CC=CC=C3)Cl)OC
Structure:
CAS RN: 21271-82-9
CAS Name: N-[8-(4-chloroanilino)-2,3-diphenyl-6-pyrido[2,3-b]pyrazinyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[8-(4-chloroanilino)-2,3-diphenyl-pyrido[2,3-b]pyrazin-6-yl]carbamate
IUPAC Name: ethyl N-[8-(4-chloroanilino)-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
SYSTEMATIC NAME: ethyl N-[8-[(4-chlorophenyl)amino]-2,3-diphenyl-pyrido[2,3-b]pyrazin-6-yl]carbamate
MOLECULAR FORMULA: C28H22ClN5O2
MOLECULAR WEIGHT: 495.95958
SMILES: CCOC(=O)NC1=NC2=C(C(=C1)NC3=CC=C(C=C3)Cl)N=C(C(=N2)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 18585-55-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H18O2
MOLECULAR WEIGHT: 410.46272
SMILES: C1=CC=C(C=C1)C23C(C4=CC=CC=C4C2=O)C5=C(C6=CC=CC=C36)C(=O)C7=CC=CC=C75
Structure:
CAS RN: 151648-39-4
CAS Name: 6,6-dimethyl-1-[3-[(3-nitrophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6,6-dimethyl-1-[3-[(3-nitrophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
IUPAC Name: 6,6-dimethyl-1-[3-[(3-nitrophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6,6-dimethyl-1-[3-[(3-nitrophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C18H20N6O3
MOLECULAR WEIGHT: 368.3898
SMILES: CC1(N=C(N=C(N1C2=CC(=CC=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])N)N)C
Structure:
CAS RN: 19157-99-4
CAS Name: 6,6-dimethyl-1-[3-[(3-nitrophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6,6-dimethyl-1-[3-[(3-nitrophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
IUPAC Name: 6,6-dimethyl-1-[3-[(3-nitrophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6,6-dimethyl-1-[3-[(3-nitrophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C18H20N6O3
MOLECULAR WEIGHT: 368.3898
SMILES: CC1(N=C(N=C(N1C2=CC(=CC=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])N)N)C
Structure:
CAS RN: 151648-38-3
CAS Name: 1-[3-[4-(3-aminophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-[3-[4-(3-aminophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-[3-[4-(3-aminophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-[3-[4-(3-aminophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C21H28N6
MOLECULAR WEIGHT: 364.48722
SMILES: CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC(=CC=C3)N)N)N)C
Structure:
CAS RN: 136243-01-1
CAS Name: 1-[3-[(3-aminophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-[3-[(3-aminophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-[3-[(3-aminophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-[3-[(3-aminophenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C18H22N6O
MOLECULAR WEIGHT: 338.40688
SMILES: CC1(N=C(N=C(N1C2=CC(=CC=C2)OCC3=CC(=CC=C3)N)N)N)C
Structure:
CAS RN: 19161-89-8
CAS Name: 2-bromo-N-[4-[3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propoxy]phenyl]acetamide
OPENEYE Name: 2-bromo-N-[4-[3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propoxy]phenyl]acetamide
IUPAC Name: 2-bromo-N-[4-[3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propoxy]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[3-[3-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenoxy]propoxy]phenyl]-2-bromanyl-ethanamide
MOLECULAR FORMULA: C22H27BrN6O3
MOLECULAR WEIGHT: 503.39218
SMILES: CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCCOC3=CC=C(C=C3)NC(=O)CBr)N)N)C
Structure:
CAS RN: 136243-00-0
CAS Name: 1-[3-[3-(4-aminophenoxy)propoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-[3-[3-(4-aminophenoxy)propoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-[3-[3-(4-aminophenoxy)propoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-[3-[3-(4-azanylphenoxy)propoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C20H26N6O2
MOLECULAR WEIGHT: 382.45944
SMILES: CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCCOC3=CC=C(C=C3)N)N)N)C
Structure:
CAS RN: 19161-91-2
CAS Name: 2-bromo-N-[3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]acetamide
OPENEYE Name: 2-bromo-N-[3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]acetamide
IUPAC Name: 2-bromo-N-[3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]acetamide
SYSTEMATIC NAME: N-[3-[[3-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenoxy]methyl]phenyl]-2-bromanyl-ethanamide
MOLECULAR FORMULA: C20H23BrN6O2
MOLECULAR WEIGHT: 459.33962
SMILES: CC1(N=C(N=C(N1C2=CC(=CC=C2)OCC3=CC(=CC=C3)NC(=O)CBr)N)N)C
Structure:
CAS RN: 21794-55-8
CAS Name: 9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 9-ethanoyl-4-methoxy-6,7,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C21H18O8
MOLECULAR WEIGHT: 398.36282
SMILES: CC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)O)O
Structure:
CAS RN: 31719-34-3
CAS Name: N,N'-bis[bis(1-aziridinyl)phosphoryl]-N,N'-bis(phenylmethyl)butane-1,4-diamine
OPENEYE Name: N,N'-dibenzyl-N,N'-bis[bis(aziridin-1-yl)phosphoryl]butane-1,4-diamine
IUPAC Name: N,N'-dibenzyl-N,N'-bis[bis(aziridin-1-yl)phosphoryl]butane-1,4-diamine
SYSTEMATIC NAME: N,N'-bis[bis(aziridin-1-yl)phosphoryl]-N,N'-bis(phenylmethyl)butane-1,4-diamine
MOLECULAR FORMULA: C26H38N6O2P2
MOLECULAR WEIGHT: 528.566442
SMILES: C1CN1P(=O)(N2CC2)N(CCCCN(CC3=CC=CC=C3)P(=O)(N4CC4)N5CC5)CC6=CC=CC=C6
Structure:
CAS RN: 100792-06-1
CAS Name: N,N-bis(2-chloroethyl)-1-pentanamine
OPENEYE Name: N,N-bis(2-chloroethyl)pentan-1-amine
IUPAC Name: N,N-bis(2-chloroethyl)pentan-1-amine
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)pentan-1-amine
MOLECULAR FORMULA: C9H19Cl2N
MOLECULAR WEIGHT: 212.15986
SMILES: CCCCCN(CCCl)CCCl
Structure:
CAS RN: 431-38-9
CAS Name: 3-amino-1,1,1-trifluoro-2-propanol
OPENEYE Name: 3-amino-1,1,1-trifluoro-propan-2-ol
IUPAC Name: 3-amino-1,1,1-trifluoropropan-2-ol
SYSTEMATIC NAME: 3-azanyl-1,1,1-tris(fluoranyl)propan-2-ol
MOLECULAR FORMULA: C3H6F3NO
MOLECULAR WEIGHT: 129.08105
SMILES: C(C(C(F)(F)F)O)N
Structure:
CAS RN: 5016-08-0
CAS Name: 2,3-diphenyl-1,2-dihydroquinoxaline
OPENEYE Name: 2,3-diphenyl-1,2-dihydroquinoxaline
IUPAC Name: 2,3-diphenyl-1,2-dihydroquinoxaline
SYSTEMATIC NAME: 2,3-diphenyl-1,2-dihydroquinoxaline
MOLECULAR FORMULA: C20H16N2
MOLECULAR WEIGHT: 284.35444
SMILES: C1=CC=C(C=C1)C2C(=NC3=CC=CC=C3N2)C4=CC=CC=C4
Structure:
CAS RN: 15448-94-9
CAS Name: 2-[hydroxy(diphenyl)methyl]-N-phenylbenzenesulfonamide
OPENEYE Name: 2-[hydroxy(diphenyl)methyl]-N-phenyl-benzenesulfonamide
IUPAC Name: 2-[hydroxy(diphenyl)methyl]-N-phenylbenzenesulfonamide
SYSTEMATIC NAME: 2-[oxidanyl(diphenyl)methyl]-N-phenyl-benzenesulfonamide
MOLECULAR FORMULA: C25H21NO3S
MOLECULAR WEIGHT: 415.50414
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3S(=O)(=O)NC4=CC=CC=C4)O
Structure:
CAS RN: 2751-09-9
CAS Name: acetic acid [6-[[3-acetyloxy-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-8-[(5-acetyloxy-4-methoxy-6-methyl-2-oxanyl)oxy]-5,7,9,12,13,15-hexamethyl-10,16-dioxo-2,11-dioxaspiro[2.13]hexadecan-14-yl] ester
OPENEYE Name: [6-[3-acetoxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-8-(5-acetoxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-2,11-dioxaspiro[2.13]hexadecan-14-yl] acetate
IUPAC Name: [6-[3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-(5-acetyloxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-2,11-dioxaspiro[2.13]hexadecan-14-yl] acetate
SYSTEMATIC NAME: [6-[3-acetyloxy-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-8-(5-acetyloxy-4-methoxy-6-methyl-oxan-2-yl)oxy-5,7,9,12,13,15-hexamethyl-10,16-bis(oxidanylidene)-2,11-dioxaspiro[2.13]hexadecan-14-yl] ethanoate
MOLECULAR FORMULA: C41H67NO15
MOLECULAR WEIGHT: 813.96838
SMILES: CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C
Structure:
CAS RN: 23659-58-7
CAS Name: 2-[hydroxy(diphenyl)methyl]-N-phenylbenzamide
OPENEYE Name: 2-[hydroxy(diphenyl)methyl]-N-phenyl-benzamide
IUPAC Name: 2-[hydroxy(diphenyl)methyl]-N-phenylbenzamide
SYSTEMATIC NAME: 2-[oxidanyl(diphenyl)methyl]-N-phenyl-benzamide
MOLECULAR FORMULA: C26H21NO2
MOLECULAR WEIGHT: 379.45044
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3C(=O)NC4=CC=CC=C4)O
Structure:
CAS RN: 6779-66-4
CAS Name: diphenylphosphorylhydrazine
OPENEYE Name: diphenylphosphorylhydrazine
IUPAC Name: diphenylphosphorylhydrazine
SYSTEMATIC NAME: diphenylphosphoryldiazane
MOLECULAR FORMULA: C12H13N2OP
MOLECULAR WEIGHT: 232.218181
SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)NN
Structure:
CAS RN: 41786-90-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H18N7O2+
MOLECULAR WEIGHT: 316.33842
SMILES: C1N2CN3CN1C[N+](C2)(C3)CN4C5=C(C=CC(=C5)[N+](=O)[O-])C=N4
Structure:
CAS RN: 175-94-0
CAS Name: 8-azaspiro[4.4]nonane
OPENEYE Name: 8-azaspiro[4.4]nonane
IUPAC Name: 8-azaspiro[4.4]nonane
SYSTEMATIC NAME: 8-azaspiro[4.4]nonane
MOLECULAR FORMULA: C8H15N
MOLECULAR WEIGHT: 125.2114
SMILES: C1CCC2(C1)CCNC2
Structure:
CAS RN: 21271-95-4
CAS Name: N-[2,3-diphenyl-8-[2-(4-sulfamoylphenyl)ethylamino]-6-pyrido[2,3-b]pyrazinyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[2,3-diphenyl-8-[2-(4-sulfamoylphenyl)ethylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
IUPAC Name: ethyl N-[2,3-diphenyl-8-[2-(4-sulfamoylphenyl)ethylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
SYSTEMATIC NAME: ethyl N-[2,3-diphenyl-8-[2-(4-sulfamoylphenyl)ethylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate
MOLECULAR FORMULA: C30H28N6O4S
MOLECULAR WEIGHT: 568.64612
SMILES: CCOC(=O)NC1=NC2=C(C(=C1)NCCC3=CC=C(C=C3)S(=O)(=O)N)N=C(C(=N2)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
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