CAS RN: 4921-87-3
CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
OPENEYE Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SYSTEMATIC NAME: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
MOLECULAR FORMULA: C21H26BrNO4
MOLECULAR WEIGHT: 436.33944
SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3Br)OC)OC)OC)OC
Structure:
CAS RN: 3867-55-8
CAS Name: 1-(diphenylmethyl)triazolo[4,5-c]pyridine-4,6-diamine
OPENEYE Name: 1-benzhydryltriazolo[4,5-c]pyridine-4,6-diamine
IUPAC Name: 1-benzhydryltriazolo[4,5-c]pyridine-4,6-diamine
SYSTEMATIC NAME: 1-(diphenylmethyl)-[1,2,3]triazolo[4,5-c]pyridine-4,6-diamine
MOLECULAR FORMULA: C18H16N6
MOLECULAR WEIGHT: 316.35984
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=CC(=NC(=C4N=N3)N)N
Structure:
CAS RN: 4646-80-4
CAS Name: 2-(1-hydroxy-3,4-dioxo-2-naphthalenyl)acetic acid
OPENEYE Name: 2-(1-hydroxy-3,4-dioxo-2-naphthyl)acetic acid
IUPAC Name: 2-(1-hydroxy-3,4-dioxonaphthalen-2-yl)acetic acid
SYSTEMATIC NAME: 2-[1-oxidanyl-3,4-bis(oxidanylidene)naphthalen-2-yl]ethanoic acid
MOLECULAR FORMULA: C12H8O5
MOLECULAR WEIGHT: 232.18892
SMILES: C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC(=O)O)O
Structure:
CAS RN: 5938-11-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O4
MOLECULAR WEIGHT: 332.43392
SMILES: CC1(CCCC2(C1CC(=O)C3=C2C(=O)C4C(C3)(O4)C(C)(C)O)C)C
Structure:
CAS RN: 21288-61-9
CAS Name: 2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
OPENEYE Name: methyl 2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
IUPAC Name: methyl 2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
SYSTEMATIC NAME: methyl 2-ethyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
MOLECULAR FORMULA: C22H20O9
MOLECULAR WEIGHT: 428.3888
SMILES: CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O
Structure:
CAS RN: 213547-15-0
CAS Name: 2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
OPENEYE Name: methyl 2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
IUPAC Name: methyl 2-ethyl-2,4,5,7,10-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
SYSTEMATIC NAME: methyl 2-ethyl-2,4,5,7,10-pentakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
MOLECULAR FORMULA: C22H20O9
MOLECULAR WEIGHT: 428.3888
SMILES: CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O
Structure:
CAS RN: 31037-02-2
CAS Name: 5-amino-1-methyl-4-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-amino-1-methyl-pyrazole-4-carboxylate
IUPAC Name: ethyl 5-amino-1-methylpyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-azanyl-1-methyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C7H11N3O2
MOLECULAR WEIGHT: 169.18114
SMILES: CCOC(=O)C1=C(N(N=C1)C)N
Structure:
CAS RN: 28293-18-7
CAS Name: 2,5-dihexyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-dihexyl-3,6-dihydroxy-1,4-benzoquinone
IUPAC Name: 2,5-dihexyl-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-dihexyl-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C18H28O4
MOLECULAR WEIGHT: 308.41252
SMILES: CCCCCCC1=C(C(=O)C(=C(C1=O)O)CCCCCC)O
Structure:
CAS RN: 81045-39-8
CAS Name: 5,8-dibromoisoquinoline
OPENEYE Name: 5,8-dibromoisoquinoline
IUPAC Name: 5,8-dibromoisoquinoline
SYSTEMATIC NAME: 5,8-bis(bromanyl)isoquinoline
MOLECULAR FORMULA: C9H5Br2N
MOLECULAR WEIGHT: 286.9507
SMILES: C1=CC(=C2C=NC=CC2=C1Br)Br
Structure:
CAS RN: 92146-38-8
CAS Name: 2-[(5,7-dichloro-8-quinolinyl)oxy]acetic acid
OPENEYE Name: 2-[(5,7-dichloro-8-quinolyl)oxy]acetic acid
IUPAC Name: 2-(5,7-dichloroquinolin-8-yl)oxyacetic acid
SYSTEMATIC NAME: 2-[5,7-bis(chloranyl)quinolin-8-yl]oxyethanoic acid
MOLECULAR FORMULA: C11H7Cl2NO3
MOLECULAR WEIGHT: 272.08418
SMILES: C1=CC2=C(C(=C(C=C2Cl)Cl)OCC(=O)O)N=C1
Structure:
CAS RN: 92958-30-0
CAS Name: 2-[(5,7-dichloro-8-quinolinyl)oxy]acetic acid
OPENEYE Name: 2-[(5,7-dichloro-8-quinolyl)oxy]acetic acid
IUPAC Name: 2-(5,7-dichloroquinolin-8-yl)oxyacetic acid
SYSTEMATIC NAME: 2-[5,7-bis(chloranyl)quinolin-8-yl]oxyethanoic acid
MOLECULAR FORMULA: C11H7Cl2NO3
MOLECULAR WEIGHT: 272.08418
SMILES: C1=CC2=C(C(=C(C=C2Cl)Cl)OCC(=O)O)N=C1
Structure:
CAS RN: 23339-15-3
CAS Name: 6-ethoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
OPENEYE Name: 6-ethoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
IUPAC Name: 6-ethoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
SYSTEMATIC NAME: 6-ethoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CCOC1C=CC(C(O1)CO)O
Structure:
CAS RN: 21898-84-0
CAS Name: N-[1,3-dioxo-3-(3-pyridinyl)propyl]benzamide
OPENEYE Name: N-[3-oxo-3-(3-pyridyl)propanoyl]benzamide
IUPAC Name: N-(3-oxo-3-pyridin-3-ylpropanoyl)benzamide
SYSTEMATIC NAME: N-(3-oxidanylidene-3-pyridin-3-yl-propanoyl)benzamide
MOLECULAR FORMULA: C15H12N2O3
MOLECULAR WEIGHT: 268.26738
SMILES: C1=CC=C(C=C1)C(=O)NC(=O)CC(=O)C2=CN=CC=C2
Structure:
CAS RN: 16109-47-0
CAS Name: 3-imino-3-phenyl-N-(2-pyridinyl)propanamide
OPENEYE Name: 3-imino-3-phenyl-N-(2-pyridyl)propanamide
IUPAC Name: 3-imino-3-phenyl-N-pyridin-2-ylpropanamide
SYSTEMATIC NAME: 3-azanylidene-3-phenyl-N-pyridin-2-yl-propanamide
MOLECULAR FORMULA: C14H13N3O
MOLECULAR WEIGHT: 239.27252
SMILES: C1=CC=C(C=C1)C(=N)CC(=O)NC2=CC=CC=N2
Structure:
CAS RN: 14543-43-2
CAS Name: 3-amino-4-hydroxybenzonitrile
OPENEYE Name: 3-amino-4-hydroxy-benzonitrile
IUPAC Name: 3-amino-4-hydroxybenzonitrile
SYSTEMATIC NAME: 3-azanyl-4-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H6N2O
MOLECULAR WEIGHT: 134.13534
SMILES: C1=CC(=C(C=C1C#N)N)O
Structure:
CAS RN: 1967-89-1
CAS Name: 1-[(4-bromophenyl)methylthio]-2,4-dinitrobenzene
OPENEYE Name: 1-[(4-bromophenyl)methylsulfanyl]-2,4-dinitro-benzene
IUPAC Name: 1-[(4-bromophenyl)methylsulfanyl]-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-[(4-bromophenyl)methylsulfanyl]-2,4-dinitro-benzene
MOLECULAR FORMULA: C13H9BrN2O4S
MOLECULAR WEIGHT: 369.19056
SMILES: C1=CC(=CC=C1CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br
Structure:
CAS RN: 19552-10-4
CAS Name: (4-bromophenyl)methanethiol
OPENEYE Name: (4-bromophenyl)methanethiol
IUPAC Name: (4-bromophenyl)methanethiol
SYSTEMATIC NAME: (4-bromophenyl)methanethiol
MOLECULAR FORMULA: C7H7BrS
MOLECULAR WEIGHT: 203.09948
SMILES: C1=CC(=CC=C1CS)Br
Structure:
CAS RN: 1967-85-7
CAS Name: (4-bromophenyl)methanethiol
OPENEYE Name: (4-bromophenyl)methanethiol
IUPAC Name: (4-bromophenyl)methanethiol
SYSTEMATIC NAME: (4-bromophenyl)methanethiol
MOLECULAR FORMULA: C7H7BrS
MOLECULAR WEIGHT: 203.09948
SMILES: C1=CC(=CC=C1CS)Br
Structure:
CAS RN: 21998-86-7
CAS Name: 1,3-dibromo-7-nitro-9-fluorenone
OPENEYE Name: 1,3-dibromo-7-nitro-fluoren-9-one
IUPAC Name: 1,3-dibromo-7-nitrofluoren-9-one
SYSTEMATIC NAME: 1,3-bis(bromanyl)-7-nitro-fluoren-9-one
MOLECULAR FORMULA: C13H5Br2NO3
MOLECULAR WEIGHT: 382.9917
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C(C=C(C=C23)Br)Br
Structure:
CAS RN: 22001-32-7
CAS Name: 1,3-dibromo-9-fluorenone
OPENEYE Name: 1,3-dibromofluoren-9-one
IUPAC Name: 1,3-dibromofluoren-9-one
SYSTEMATIC NAME: 1,3-bis(bromanyl)fluoren-9-one
MOLECULAR FORMULA: C13H6Br2O
MOLECULAR WEIGHT: 337.99414
SMILES: C1=CC=C2C(=C1)C3=CC(=CC(=C3C2=O)Br)Br
Structure:
CAS RN: 22001-00-9
CAS Name: 1,3-dibromo-9H-fluorene
OPENEYE Name: 1,3-dibromo-9H-fluorene
IUPAC Name: 1,3-dibromo-9H-fluorene
SYSTEMATIC NAME: 1,3-bis(bromanyl)-9H-fluorene
MOLECULAR FORMULA: C13H8Br2
MOLECULAR WEIGHT: 324.01062
SMILES: C1C2=CC=CC=C2C3=CC(=CC(=C31)Br)Br
Structure:
CAS RN: 5121-67-5
CAS Name: 6-hydroxy-4-methyl-5-(1-oxo-3-phenylprop-2-enyl)-1H-pyridin-2-one
OPENEYE Name: 6-hydroxy-4-methyl-5-(3-phenylprop-2-enoyl)-1H-pyridin-2-one
IUPAC Name: 6-hydroxy-4-methyl-5-(3-phenylprop-2-enoyl)-1H-pyridin-2-one
SYSTEMATIC NAME: 4-methyl-6-oxidanyl-5-(3-phenylprop-2-enoyl)-1H-pyridin-2-one
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: CC1=CC(=O)NC(=C1C(=O)C=CC2=CC=CC=C2)O
Structure:
CAS RN: 20933-92-0
CAS Name: N-(3-chlorophenyl)-5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-amine
OPENEYE Name: N-(3-chlorophenyl)-5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-amine
IUPAC Name: N-(3-chlorophenyl)-5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-amine
SYSTEMATIC NAME: N-(3-chlorophenyl)-5-methyl-5-nitro-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-amine
MOLECULAR FORMULA: C10H12ClN2O5P
MOLECULAR WEIGHT: 306.639441
SMILES: CC1(COP(=O)(OC1)NC2=CC(=CC=C2)Cl)[N+](=O)[O-]
Structure:
CAS RN: 33787-05-2
CAS Name: 2-(5-bromo-2-methoxyphenyl)acetaldehyde
OPENEYE Name: 2-(5-bromo-2-methoxy-phenyl)acetaldehyde
IUPAC Name: 2-(5-bromo-2-methoxyphenyl)acetaldehyde
SYSTEMATIC NAME: 2-(5-bromanyl-2-methoxy-phenyl)ethanal
MOLECULAR FORMULA: C9H9BrO2
MOLECULAR WEIGHT: 229.07056
SMILES: COC1=C(C=C(C=C1)Br)CC=O
Structure:
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