CAS RN: 5625-41-2
CAS Name: 3,6-bis(hydroxymethyl)piperazine-2,5-dione
OPENEYE Name: 3,6-bis(hydroxymethyl)piperazine-2,5-dione
IUPAC Name: 3,6-bis(hydroxymethyl)piperazine-2,5-dione
SYSTEMATIC NAME: 3,6-bis(hydroxymethyl)piperazine-2,5-dione
MOLECULAR FORMULA: C6H10N2O4
MOLECULAR WEIGHT: 174.1546
SMILES: C(C1C(=O)NC(C(=O)N1)CO)O
Structure:
CAS RN: 15996-16-4
CAS Name: 3,6-bis(hydroxymethyl)piperazine-2,5-dione
OPENEYE Name: 3,6-bis(hydroxymethyl)piperazine-2,5-dione
IUPAC Name: 3,6-bis(hydroxymethyl)piperazine-2,5-dione
SYSTEMATIC NAME: 3,6-bis(hydroxymethyl)piperazine-2,5-dione
MOLECULAR FORMULA: C6H10N2O4
MOLECULAR WEIGHT: 174.1546
SMILES: C(C1C(=O)NC(C(=O)N1)CO)O
Structure:
CAS RN: 5617-42-5
CAS Name: heptylcyclopentane
OPENEYE Name: heptylcyclopentane
IUPAC Name: heptylcyclopentane
SYSTEMATIC NAME: heptylcyclopentane
MOLECULAR FORMULA: C12H24
MOLECULAR WEIGHT: 168.31896
SMILES: CCCCCCCC1CCCC1
Structure:
CAS RN: 5615-90-7
CAS Name: 3-methylpyrrolidine-2,5-dione
OPENEYE Name: 3-methylpyrrolidine-2,5-dione
IUPAC Name: 3-methylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-methylpyrrolidine-2,5-dione
MOLECULAR FORMULA: C5H7NO2
MOLECULAR WEIGHT: 113.11458
SMILES: CC1CC(=O)NC1=O
Structure:
CAS RN: 5614-37-9
CAS Name: methoxycyclopentane
OPENEYE Name: methoxycyclopentane
IUPAC Name: methoxycyclopentane
SYSTEMATIC NAME: methoxycyclopentane
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: COC1CCCC1
Structure:
CAS RN: 5603-34-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H10
MOLECULAR WEIGHT: 130.1864
SMILES: C1=CC2C3C4C1C5C2C3C45
Structure:
CAS RN: 5599-49-5
CAS Name: 2-ethyl-9H-carbazole
OPENEYE Name: 2-ethyl-9H-carbazole
IUPAC Name: 2-ethyl-9H-carbazole
SYSTEMATIC NAME: 2-ethyl-9H-carbazole
MOLECULAR FORMULA: C14H13N
MOLECULAR WEIGHT: 195.25972
SMILES: CCC1=CC2=C(C=C1)C3=CC=CC=C3N2
Structure:
CAS RN: 5587-61-1
CAS Name: triisocyanato(methyl)silane
OPENEYE Name: triisocyanato(methyl)silane
IUPAC Name: triisocyanato(methyl)silane
SYSTEMATIC NAME: triisocyanato(methyl)silane
MOLECULAR FORMULA: C4H3N3O3Si
MOLECULAR WEIGHT: 169.17042
SMILES: C[Si](N=C=O)(N=C=O)N=C=O
Structure:
CAS RN: 5577-67-3
CAS Name: 2-methyl-N-trimethylsilyl-2-propanamine
OPENEYE Name: 2-methyl-N-trimethylsilyl-propan-2-amine
IUPAC Name: 2-methyl-N-trimethylsilylpropan-2-amine
SYSTEMATIC NAME: 2-methyl-N-trimethylsilyl-propan-2-amine
MOLECULAR FORMULA: C7H19NSi
MOLECULAR WEIGHT: 145.31796
SMILES: CC(C)(C)N[Si](C)(C)C
Structure:
CAS RN: 5558-78-1
CAS Name: 2-phenylpentanenitrile
OPENEYE Name: 2-phenylpentanenitrile
IUPAC Name: 2-phenylpentanenitrile
SYSTEMATIC NAME: 2-phenylpentanenitrile
MOLECULAR FORMULA: C11H13N
MOLECULAR WEIGHT: 159.22762
SMILES: CCCC(C#N)C1=CC=CC=C1
Structure:
CAS RN: 5558-31-6
CAS Name: 4-methyl-2-phenylpentanenitrile
OPENEYE Name: 4-methyl-2-phenyl-pentanenitrile
IUPAC Name: 4-methyl-2-phenylpentanenitrile
SYSTEMATIC NAME: 4-methyl-2-phenyl-pentanenitrile
MOLECULAR FORMULA: C12H15N
MOLECULAR WEIGHT: 173.2542
SMILES: CC(C)CC(C#N)C1=CC=CC=C1
Structure:
CAS RN: 5543-31-7
CAS Name: acetic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester
OPENEYE Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl acetate
IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl acetate
SYSTEMATIC NAME: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ethanoate
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: CC(=O)OCC1=NC(=NO1)C2=CC=CC=C2
Structure:
CAS RN: 5531-30-6
CAS Name: 1-cyclohexyl-2-methyl-2-propanol
OPENEYE Name: 1-cyclohexyl-2-methyl-propan-2-ol
IUPAC Name: 1-cyclohexyl-2-methylpropan-2-ol
SYSTEMATIC NAME: 1-cyclohexyl-2-methyl-propan-2-ol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CC(C)(CC1CCCCC1)O
Structure:
CAS RN: 5530-96-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: C1C2C=CC1C3C2C=CC3=O
Structure:
CAS RN: 5520-66-1
CAS Name: 1-[4-(diethylamino)phenyl]ethanone
OPENEYE Name: 1-[4-(diethylamino)phenyl]ethanone
IUPAC Name: 1-[4-(diethylamino)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-(diethylamino)phenyl]ethanone
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)C
Structure:
CAS RN: 5519-42-6
CAS Name: 3,4,5-trimethyl-1H-pyrazole
OPENEYE Name: 3,4,5-trimethyl-1H-pyrazole
IUPAC Name: 3,4,5-trimethyl-1H-pyrazole
SYSTEMATIC NAME: 3,4,5-trimethyl-1H-pyrazole
MOLECULAR FORMULA: C6H10N2
MOLECULAR WEIGHT: 110.157
SMILES: CC1=C(NN=C1C)C
Structure:
CAS RN: 5519-23-3
CAS Name: 4-decoxybenzoic acid
OPENEYE Name: 4-decoxybenzoic acid
IUPAC Name: 4-decoxybenzoic acid
SYSTEMATIC NAME: 4-decoxybenzoic acid
MOLECULAR FORMULA: C17H26O3
MOLECULAR WEIGHT: 278.38654
SMILES: CCCCCCCCCCOC1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 5508-42-9
CAS Name: 2-(dimethyl-$l^{4}-sulfanylidene)indene-1,3-dione
OPENEYE Name: 2-(dimethyl-$l^{4}-sulfanylidene)indane-1,3-dione
IUPAC Name: 2-(dimethyl-$l^{4}-sulfanylidene)indene-1,3-dione
SYSTEMATIC NAME: 2-(dimethyl-$l^{4}-sulfanylidene)indene-1,3-dione
MOLECULAR FORMULA: C11H10O2S
MOLECULAR WEIGHT: 206.2609
SMILES: CS(=C1C(=O)C2=CC=CC=C2C1=O)C
Structure:
CAS RN: 5505-49-7
CAS Name: deuterioethane
OPENEYE Name: deuterioethane
IUPAC Name: deuterioethane
SYSTEMATIC NAME: deuterioethane
MOLECULAR FORMULA: C2H6
MOLECULAR WEIGHT: 31.075202
SMILES: [2H]CC
Structure:
CAS RN: 5503-65-1
CAS Name: 4-(benzenesulfonyl)-4-azabicyclo[3.2.1]octane
OPENEYE Name: 4-(benzenesulfonyl)-4-azabicyclo[3.2.1]octane
IUPAC Name: 4-(benzenesulfonyl)-4-azabicyclo[3.2.1]octane
SYSTEMATIC NAME: 4-(phenylsulfonyl)-4-azabicyclo[3.2.1]octane
MOLECULAR FORMULA: C13H17NO2S
MOLECULAR WEIGHT: 251.34458
SMILES: C1CC2CC1CCN2S(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 5498-70-4
CAS Name: 1-methyl-azacyclotridecan-2-one
OPENEYE Name: 1-methyl-azacyclotridecan-2-one
IUPAC Name: 1-methyl-azacyclotridecan-2-one
SYSTEMATIC NAME: 1-methyl-1-azacyclotridecan-2-one
MOLECULAR FORMULA: C13H25NO
MOLECULAR WEIGHT: 211.3437
SMILES: CN1CCCCCCCCCCCC1=O
Structure:
CAS RN: 5472-23-1
CAS Name: 10-phenyl-9-acridinone
OPENEYE Name: 10-phenylacridin-9-one
IUPAC Name: 10-phenylacridin-9-one
SYSTEMATIC NAME: 10-phenylacridin-9-one
MOLECULAR FORMULA: C19H13NO
MOLECULAR WEIGHT: 271.31262
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C4=CC=CC=C42
Structure:
CAS RN: 5467-58-3
CAS Name: 1-bromo-4-methoxynaphthalene
OPENEYE Name: 1-bromo-4-methoxy-naphthalene
IUPAC Name: 1-bromo-4-methoxynaphthalene
SYSTEMATIC NAME: 1-bromanyl-4-methoxy-naphthalene
MOLECULAR FORMULA: C11H9BrO
MOLECULAR WEIGHT: 237.09256
SMILES: COC1=CC=C(C2=CC=CC=C21)Br
Structure:
CAS RN: 5465-38-3
CAS Name: 3,4-diphenyloxolane-2,5-dione
OPENEYE Name: 3,4-diphenyltetrahydrofuran-2,5-dione
IUPAC Name: 3,4-diphenyloxolane-2,5-dione
SYSTEMATIC NAME: 3,4-diphenyloxolane-2,5-dione
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: C1=CC=C(C=C1)C2C(C(=O)OC2=O)C3=CC=CC=C3
Structure:
CAS RN: 5465-09-8
CAS Name: 3,4-dimethyl-1-cyclohexanone
OPENEYE Name: 3,4-dimethylcyclohexanone
IUPAC Name: 3,4-dimethylcyclohexan-1-one
SYSTEMATIC NAME: 3,4-dimethylcyclohexan-1-one
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CC1CCC(=O)CC1C
Structure:
CAS RN: 5463-44-5
CAS Name: 3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylate
IUPAC Name: ethyl 3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C9H12N2O4
MOLECULAR WEIGHT: 212.20258
SMILES: CCOC(=O)C1=C(C(=C(N1)C)[N+](=O)[O-])C
Structure:
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