CAS RN: 77063-17-3
CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid butyl ester
OPENEYE Name: butyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
IUPAC Name: butyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
SYSTEMATIC NAME: butyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
MOLECULAR FORMULA: C18H27Cl2NO2
MOLECULAR WEIGHT: 360.31848
SMILES: CCCCOC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl
Structure:
CAS RN: 76963-37-6
CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid 2-phenoxyethyl ester
OPENEYE Name: 2-phenoxyethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
IUPAC Name: 2-phenoxyethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
SYSTEMATIC NAME: 2-phenoxyethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
MOLECULAR FORMULA: C22H27Cl2NO3
MOLECULAR WEIGHT: 424.36068
SMILES: C1=CC=C(C=C1)OCCOC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl
Structure:
CAS RN: 28969-37-1
CAS Name: 4-oxido-2,5-diphenyl-1,3,4-oxadiazin-4-ium-6-one
OPENEYE Name: 4-oxido-2,5-diphenyl-1,3,4-oxadiazin-4-ium-6-one
IUPAC Name: 4-oxido-2,5-diphenyl-1,3,4-oxadiazin-4-ium-6-one
SYSTEMATIC NAME: 4-oxidanidyl-2,5-diphenyl-1,3,4-oxadiazin-4-ium-6-one
MOLECULAR FORMULA: C15H10N2O3
MOLECULAR WEIGHT: 266.2515
SMILES: C1=CC=C(C=C1)C2=[N+](N=C(OC2=O)C3=CC=CC=C3)[O-]
Structure:
CAS RN: 10562-16-0
CAS Name: 1,3,4,6-tetraphenylhexa-2,4-diene-1,6-dione
OPENEYE Name: 1,3,4,6-tetraphenylhexa-2,4-diene-1,6-dione
IUPAC Name: 1,3,4,6-tetraphenylhexa-2,4-diene-1,6-dione
SYSTEMATIC NAME: 1,3,4,6-tetraphenylhexa-2,4-diene-1,6-dione
MOLECULAR FORMULA: C30H22O2
MOLECULAR WEIGHT: 414.49448
SMILES: C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)C(=CC(=O)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 17953-33-2
CAS Name: 1-hydroxy-4-methyl-2-oxido-3,5-diphenylpyrazol-2-ium
OPENEYE Name: 1-hydroxy-4-methyl-2-oxido-3,5-diphenyl-pyrazol-2-ium
IUPAC Name: 1-hydroxy-4-methyl-2-oxido-3,5-diphenylpyrazol-2-ium
SYSTEMATIC NAME: 4-methyl-1-oxidanidyl-2-oxidanyl-3,5-diphenyl-pyrazol-1-ium
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: CC1=C(N([N+](=C1C2=CC=CC=C2)[O-])O)C3=CC=CC=C3
Structure:
CAS RN: 17953-00-3
CAS Name: 1-hydroxy-3,5-diphenyl-4-pyrazolol
OPENEYE Name: 1-hydroxy-3,5-diphenyl-pyrazol-4-ol
IUPAC Name: 1-hydroxy-3,5-diphenylpyrazol-4-ol
SYSTEMATIC NAME: 1-oxidanyl-3,5-diphenyl-pyrazol-4-ol
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: C1=CC=C(C=C1)C2=C(C(=NN2O)C3=CC=CC=C3)O
Structure:
CAS RN: 17953-06-9
CAS Name: 3,5-diphenyl-1H-pyrazol-4-ol
OPENEYE Name: 3,5-diphenyl-1H-pyrazol-4-ol
IUPAC Name: 3,5-diphenyl-1H-pyrazol-4-ol
SYSTEMATIC NAME: 3,5-diphenyl-1H-pyrazol-4-ol
MOLECULAR FORMULA: C15H12N2O
MOLECULAR WEIGHT: 236.26858
SMILES: C1=CC=C(C=C1)C2=C(C(=NN2)C3=CC=CC=C3)O
Structure:
CAS RN: 17953-35-4
CAS Name: 1-hydroxy-4-methyl-3,5-diphenylpyrazole
OPENEYE Name: 1-hydroxy-4-methyl-3,5-diphenyl-pyrazole
IUPAC Name: 1-hydroxy-4-methyl-3,5-diphenylpyrazole
SYSTEMATIC NAME: 4-methyl-1-oxidanyl-3,5-diphenyl-pyrazole
MOLECULAR FORMULA: C16H14N2O
MOLECULAR WEIGHT: 250.29516
SMILES: CC1=C(N(N=C1C2=CC=CC=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 71000-85-6
CAS Name: 1-hydroxy-4-nitroso-2-oxido-3,5-diphenylpyrazol-2-ium
OPENEYE Name: 1-hydroxy-4-nitroso-2-oxido-3,5-diphenyl-pyrazol-2-ium
IUPAC Name: 1-hydroxy-4-nitroso-2-oxido-3,5-diphenylpyrazol-2-ium
SYSTEMATIC NAME: 4-nitroso-1-oxidanidyl-2-oxidanyl-3,5-diphenyl-pyrazol-1-ium
MOLECULAR FORMULA: C15H11N3O3
MOLECULAR WEIGHT: 281.26614
SMILES: C1=CC=C(C=C1)C2=C(C(=[N+](N2O)[O-])C3=CC=CC=C3)N=O
Structure:
CAS RN: 16917-82-1
CAS Name: 1-hydroxy-3-methyl-4-nitroso-2-oxido-5-phenylpyrazol-2-ium
OPENEYE Name: 1-hydroxy-3-methyl-4-nitroso-2-oxido-5-phenyl-pyrazol-2-ium
IUPAC Name: 1-hydroxy-3-methyl-4-nitroso-2-oxido-5-phenylpyrazol-2-ium
SYSTEMATIC NAME: 5-methyl-4-nitroso-1-oxidanidyl-2-oxidanyl-3-phenyl-pyrazol-1-ium
MOLECULAR FORMULA: C10H9N3O3
MOLECULAR WEIGHT: 219.19676
SMILES: CC1=[N+](N(C(=C1N=O)C2=CC=CC=C2)O)[O-]
Structure:
CAS RN: 17036-81-6
CAS Name: 3-ethyl-1-hydroxy-4-nitroso-2-oxido-5-phenylpyrazol-2-ium
OPENEYE Name: 3-ethyl-1-hydroxy-4-nitroso-2-oxido-5-phenyl-pyrazol-2-ium
IUPAC Name: 3-ethyl-1-hydroxy-4-nitroso-2-oxido-5-phenylpyrazol-2-ium
SYSTEMATIC NAME: 5-ethyl-4-nitroso-1-oxidanidyl-2-oxidanyl-3-phenyl-pyrazol-1-ium
MOLECULAR FORMULA: C11H11N3O3
MOLECULAR WEIGHT: 233.22334
SMILES: CCC1=[N+](N(C(=C1N=O)C2=CC=CC=C2)O)[O-]
Structure:
CAS RN: 33575-83-6
CAS Name: 2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole
OPENEYE Name: 2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole
IUPAC Name: 2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C9H7ClN2O
MOLECULAR WEIGHT: 194.61768
SMILES: C1=CC=C(C=C1)C2=NN=C(O2)CCl
Structure:
CAS RN: 27742-98-9
CAS Name: 1,2,4-trimethyl-5-[(2,4,5-trimethylphenyl)methoxymethyl]benzene
OPENEYE Name: 1,2,4-trimethyl-5-[(2,4,5-trimethylphenyl)methoxymethyl]benzene
IUPAC Name: 1,2,4-trimethyl-5-[(2,4,5-trimethylphenyl)methoxymethyl]benzene
SYSTEMATIC NAME: 1,2,4-trimethyl-5-[(2,4,5-trimethylphenyl)methoxymethyl]benzene
MOLECULAR FORMULA: C20H26O
MOLECULAR WEIGHT: 282.41984
SMILES: CC1=CC(=C(C=C1C)COCC2=C(C=C(C(=C2)C)C)C)C
Structure:
CAS RN: 18393-54-9
CAS Name: 3-methyl-2H-phthalazine-1,4-dione
OPENEYE Name: 3-methyl-2H-phthalazine-1,4-dione
IUPAC Name: 3-methyl-2H-phthalazine-1,4-dione
SYSTEMATIC NAME: 3-methyl-2H-phthalazine-1,4-dione
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: CN1C(=O)C2=CC=CC=C2C(=O)N1
Structure:
CAS RN: 21150-15-2
CAS Name: N'-benzoyl-N'-methylbenzohydrazide
OPENEYE Name: N'-benzoyl-N'-methyl-benzohydrazide
IUPAC Name: N'-benzoyl-N'-methylbenzohydrazide
SYSTEMATIC NAME: N'-methyl-N'-(phenylcarbonyl)benzohydrazide
MOLECULAR FORMULA: C15H14N2O2
MOLECULAR WEIGHT: 254.28386
SMILES: CN(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 4363-38-6
CAS Name: ethene-1,2-dione
OPENEYE Name: ethene-1,2-dione
IUPAC Name: ethene-1,2-dione
SYSTEMATIC NAME: ethene-1,2-dione
MOLECULAR FORMULA: C2O2
MOLECULAR WEIGHT: 56.0202
SMILES: C(=C=O)=O
Structure:
CAS RN: 10538-48-4
CAS Name: 3-(2,3-dimethoxyphenyl)propanoic acid
OPENEYE Name: 3-(2,3-dimethoxyphenyl)propanoic acid
IUPAC Name: 3-(2,3-dimethoxyphenyl)propanoic acid
SYSTEMATIC NAME: 3-(2,3-dimethoxyphenyl)propanoic acid
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: COC1=CC=CC(=C1OC)CCC(=O)O
Structure:
CAS RN: 40377-41-1
CAS Name: N-[2-(4-aminophenyl)ethyl]acetamide
OPENEYE Name: N-[2-(4-aminophenyl)ethyl]acetamide
IUPAC Name: N-[2-(4-aminophenyl)ethyl]acetamide
SYSTEMATIC NAME: N-[2-(4-aminophenyl)ethyl]ethanamide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CC(=O)NCCC1=CC=C(C=C1)N
Structure:
CAS RN: 57963-56-1
CAS Name: 4-[(2,4-diamino-6-pteridinyl)methoxy]benzamide
OPENEYE Name: 4-[(2,4-diaminopteridin-6-yl)methoxy]benzamide
IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methoxy]benzamide
SYSTEMATIC NAME: 4-[[2,4-bis(azanyl)pteridin-6-yl]methoxy]benzamide
MOLECULAR FORMULA: C14H13N7O2
MOLECULAR WEIGHT: 311.29872
SMILES: C1=CC(=CC=C1C(=O)N)OCC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 70583-39-0
CAS Name: 6-[(1-naphthalenylamino)methyl]pteridine-2,4-diamine
OPENEYE Name: 6-[(1-naphthylamino)methyl]pteridine-2,4-diamine
IUPAC Name: 6-[(naphthalen-1-ylamino)methyl]pteridine-2,4-diamine
SYSTEMATIC NAME: 6-[(naphthalen-1-ylamino)methyl]pteridine-2,4-diamine
MOLECULAR FORMULA: C17H15N7
MOLECULAR WEIGHT: 317.3479
SMILES: C1=CC=C2C(=C1)C=CC=C2NCC3=CN=C4C(=N3)C(=NC(=N4)N)N
Structure:
CAS RN: 58235-54-4
CAS Name: 2-bromo-1-(4-bromo-2,6-dimethoxyphenoxy)-3,4,5-trimethoxybenzene
OPENEYE Name: 2-bromo-1-(4-bromo-2,6-dimethoxy-phenoxy)-3,4,5-trimethoxy-benzene
IUPAC Name: 2-bromo-1-(4-bromo-2,6-dimethoxyphenoxy)-3,4,5-trimethoxybenzene
SYSTEMATIC NAME: 2-bromanyl-1-(4-bromanyl-2,6-dimethoxy-phenoxy)-3,4,5-trimethoxy-benzene
MOLECULAR FORMULA: C17H18Br2O6
MOLECULAR WEIGHT: 478.12922
SMILES: COC1=CC(=CC(=C1OC2=C(C(=C(C(=C2)OC)OC)OC)Br)OC)Br
Structure:
CAS RN: 51318-83-3
CAS Name: 5-bromo-1,3-dimethoxy-2-(3,4,5-trimethoxyphenoxy)benzene
OPENEYE Name: 5-bromo-1,3-dimethoxy-2-(3,4,5-trimethoxyphenoxy)benzene
IUPAC Name: 5-bromo-1,3-dimethoxy-2-(3,4,5-trimethoxyphenoxy)benzene
SYSTEMATIC NAME: 5-bromanyl-1,3-dimethoxy-2-(3,4,5-trimethoxyphenoxy)benzene
MOLECULAR FORMULA: C17H19BrO6
MOLECULAR WEIGHT: 399.23316
SMILES: COC1=CC(=CC(=C1OC)OC)OC2=C(C=C(C=C2OC)Br)OC
Structure:
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