CAS RN: 905-95-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H15N
MOLECULAR WEIGHT: 317.3826
SMILES: C1=CC=C2C=C3C=C4C(=CC3=CC2=C1)C5=CC6=CC=CC=C6C=C5N4
Structure:
CAS RN: 900-91-4
CAS Name: 3,3,3-triphenylpropanoic acid
OPENEYE Name: 3,3,3-triphenylpropanoic acid
IUPAC Name: 3,3,3-triphenylpropanoic acid
SYSTEMATIC NAME: 3,3,3-triphenylpropanoic acid
MOLECULAR FORMULA: C21H18O2
MOLECULAR WEIGHT: 302.36642
SMILES: C1=CC=C(C=C1)C(CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 888-71-1
CAS Name: 3,5-diphenyl-1,2,4-oxadiazole
OPENEYE Name: 3,5-diphenyl-1,2,4-oxadiazole
IUPAC Name: 3,5-diphenyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 3,5-diphenyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C14H10N2O
MOLECULAR WEIGHT: 222.242
SMILES: C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3
Structure:
CAS RN: 886-58-8
CAS Name: 1-(phenylmethyl)-4-propan-2-ylbenzene
OPENEYE Name: 1-benzyl-4-isopropyl-benzene
IUPAC Name: 1-benzyl-4-propan-2-ylbenzene
SYSTEMATIC NAME: 1-(phenylmethyl)-4-propan-2-yl-benzene
MOLECULAR FORMULA: C16H18
MOLECULAR WEIGHT: 210.31412
SMILES: CC(C)C1=CC=C(C=C1)CC2=CC=CC=C2
Structure:
CAS RN: 883-39-6
CAS Name: 1-phenylbenzotriazole
OPENEYE Name: 1-phenylbenzotriazole
IUPAC Name: 1-phenylbenzotriazole
SYSTEMATIC NAME: 1-phenylbenzotriazole
MOLECULAR FORMULA: C12H9N3
MOLECULAR WEIGHT: 195.21996
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3N=N2
Structure:
CAS RN: 881-64-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H8N4
MOLECULAR WEIGHT: 184.19732
SMILES: C1=CC2=NN3C=CC=CC3=NN2C=C1
Structure:
CAS RN: 881-50-5
CAS Name: N-(4-bromo-2-nitrophenyl)acetamide
OPENEYE Name: N-(4-bromo-2-nitro-phenyl)acetamide
IUPAC Name: N-(4-bromo-2-nitrophenyl)acetamide
SYSTEMATIC NAME: N-(4-bromanyl-2-nitro-phenyl)ethanamide
MOLECULAR FORMULA: C8H7BrN2O3
MOLECULAR WEIGHT: 259.05678
SMILES: CC(=O)NC1=C(C=C(C=C1)Br)[N+](=O)[O-]
Structure:
CAS RN: 877-68-9
CAS Name: (4-methoxyphenyl)-trimethylsilane
OPENEYE Name: (4-methoxyphenyl)-trimethyl-silane
IUPAC Name: (4-methoxyphenyl)-trimethylsilane
SYSTEMATIC NAME: (4-methoxyphenyl)-trimethyl-silane
MOLECULAR FORMULA: C10H16OSi
MOLECULAR WEIGHT: 180.31894
SMILES: COC1=CC=C(C=C1)[Si](C)(C)C
Structure:
CAS RN: 877-53-2
CAS Name: acetic acid (2,4-dimethylphenyl) ester
OPENEYE Name: (2,4-dimethylphenyl) acetate
IUPAC Name: (2,4-dimethylphenyl) acetate
SYSTEMATIC NAME: (2,4-dimethylphenyl) ethanoate
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC1=CC(=C(C=C1)OC(=O)C)C
Structure:
CAS RN: 877-07-6
CAS Name: 1,2,3,4,5,6-hexamethyl-1,3,5,2,4,6-triazatriborinane
OPENEYE Name: 1,2,3,4,5,6-hexamethyl-1,3,5,2,4,6-triazatriborinane
IUPAC Name: 1,2,3,4,5,6-hexamethyl-1,3,5,2,4,6-triazatriborinane
SYSTEMATIC NAME: 1,2,3,4,5,6-hexamethyl-1,3,5,2,4,6-triazatriborinane
MOLECULAR FORMULA: C6H18B3N3
MOLECULAR WEIGHT: 164.66022
SMILES: B1(N(B(N(B(N1C)C)C)C)C)C
Structure:
CAS RN: 876-31-3
CAS Name: 4-(cyanomethyl)benzonitrile
OPENEYE Name: 4-(cyanomethyl)benzonitrile
IUPAC Name: 4-(cyanomethyl)benzonitrile
SYSTEMATIC NAME: 4-(cyanomethyl)benzenecarbonitrile
MOLECULAR FORMULA: C9H6N2
MOLECULAR WEIGHT: 142.15734
SMILES: C1=CC(=CC=C1CC#N)C#N
Structure:
CAS RN: 875-80-9
CAS Name: 2,3-dimethylimidazo[1,2-a]pyridine
OPENEYE Name: 2,3-dimethylimidazo[1,2-a]pyridine
IUPAC Name: 2,3-dimethylimidazo[1,2-a]pyridine
SYSTEMATIC NAME: 2,3-dimethylimidazo[1,2-a]pyridine
MOLECULAR FORMULA: C9H10N2
MOLECULAR WEIGHT: 146.1891
SMILES: CC1=C(N2C=CC=CC2=N1)C
Structure:
CAS RN: 875-72-9
CAS Name: 2-methyleneadamantane
OPENEYE Name: 2-methyleneadamantane
IUPAC Name: 2-methylideneadamantane
SYSTEMATIC NAME: 2-methylideneadamantane
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: C=C1C2CC3CC(C2)CC1C3
Structure:
CAS RN: 875-31-0
CAS Name: 9-methyl-3H-purin-6-one
OPENEYE Name: 9-methyl-3H-purin-6-one
IUPAC Name: 9-methyl-3H-purin-6-one
SYSTEMATIC NAME: 9-methyl-3H-purin-6-one
MOLECULAR FORMULA: C6H6N4O
MOLECULAR WEIGHT: 150.13804
SMILES: CN1C=NC2=C1NC=NC2=O
Structure:
CAS RN: 875-06-9
CAS Name: 2,2,4-trimethyl-3-bicyclo[2.2.1]heptanethione
OPENEYE Name: 1,3,3-trimethylnorbornane-2-thione
IUPAC Name: 2,2,4-trimethylbicyclo[2.2.1]heptane-3-thione
SYSTEMATIC NAME: 2,2,4-trimethylbicyclo[2.2.1]heptane-3-thione
MOLECULAR FORMULA: C10H16S
MOLECULAR WEIGHT: 168.29904
SMILES: CC1(C2CCC(C2)(C1=S)C)C
Structure:
CAS RN: 874-39-5
CAS Name: 7-methylimidazo[1,2-a]pyridine
OPENEYE Name: 7-methylimidazo[1,2-a]pyridine
IUPAC Name: 7-methylimidazo[1,2-a]pyridine
SYSTEMATIC NAME: 7-methylimidazo[1,2-a]pyridine
MOLECULAR FORMULA: C8H8N2
MOLECULAR WEIGHT: 132.16252
SMILES: CC1=CC2=NC=CN2C=C1
Structure:
CAS RN: 873-95-0
CAS Name: 3-amino-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-amino-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-amino-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-azanyl-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C8H13NO
MOLECULAR WEIGHT: 139.19492
SMILES: CC1(CC(=CC(=O)C1)N)C
Structure:
CAS RN: 873-67-6
CAS Name: benzonitrile oxide
OPENEYE Name: benzonitrile oxide
IUPAC Name: benzonitrile oxide
SYSTEMATIC NAME: benzenecarbonitrile oxide
MOLECULAR FORMULA: C7H5NO
MOLECULAR WEIGHT: 119.1207
SMILES: C1=CC=C(C=C1)C#[N+][O-]
Structure:
CAS RN: 873-51-8
CAS Name: dichloro(phenyl)borane
OPENEYE Name: dichloro(phenyl)borane
IUPAC Name: dichloro(phenyl)borane
SYSTEMATIC NAME: bis(chloranyl)-phenyl-borane
MOLECULAR FORMULA: C6H5BCl2
MOLECULAR WEIGHT: 158.8209
SMILES: B(C1=CC=CC=C1)(Cl)Cl
Structure:
CAS RN: 873-12-1
CAS Name: spiro[4.4]non-8-ene
OPENEYE Name: spiro[4.4]non-8-ene
IUPAC Name: spiro[4.4]non-8-ene
SYSTEMATIC NAME: spiro[4.4]non-8-ene
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: C1CCC2(C1)CCC=C2
Structure:
CAS RN: 872-94-6
CAS Name: 4-methyl-2,3-dihydrothiophene 1,1-dioxide
OPENEYE Name: 4-methyl-2,3-dihydrothiophene 1,1-dioxide
IUPAC Name: 4-methyl-2,3-dihydrothiophene 1,1-dioxide
SYSTEMATIC NAME: 4-methyl-2,3-dihydrothiophene 1,1-dioxide
MOLECULAR FORMULA: C5H8O2S
MOLECULAR WEIGHT: 132.18082
SMILES: CC1=CS(=O)(=O)CC1
Structure:
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