CAS RN: 57000-36-9
CAS Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-1H-indole; 4-methylbenzenesulfonic acid
OPENEYE Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-1H-indole; 4-methylbenzenesulfonic acid
IUPAC Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-1H-indole; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-methoxy-1H-indole; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C21H25N3O4S
MOLECULAR WEIGHT: 415.5059
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC2=C(C=C1)NC=C2CCC3=NCCN3
Structure:
CAS RN: 56998-66-4
CAS Name: 1-bromo-3,4,4-trimethyl-1-pentyn-3-ol
OPENEYE Name: 1-bromo-3,4,4-trimethyl-pent-1-yn-3-ol
IUPAC Name: 1-bromo-3,4,4-trimethylpent-1-yn-3-ol
SYSTEMATIC NAME: 1-bromanyl-3,4,4-trimethyl-pent-1-yn-3-ol
MOLECULAR FORMULA: C8H13BrO
MOLECULAR WEIGHT: 205.09222
SMILES: CC(C)(C)C(C)(C#CBr)O
Structure:
CAS RN: 56990-47-7
CAS Name: 1-(5-fluoro-6-benzo[b][1]benzoxepinyl)-4-(phenylmethyl)piperazine
OPENEYE Name: 1-benzyl-4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazine
IUPAC Name: 1-benzyl-4-(5-fluorobenzo[b][1]benzoxepin-6-yl)piperazine
SYSTEMATIC NAME: 1-(5-fluoranylbenzo[b][1]benzoxepin-6-yl)-4-(phenylmethyl)piperazine
MOLECULAR FORMULA: C25H23FN2O
MOLECULAR WEIGHT: 386.461323
SMILES: C1CN(CCN1CC2=CC=CC=C2)C3=C(C4=CC=CC=C4OC5=CC=CC=C53)F
Structure:
CAS RN: 56986-32-4
CAS Name: acetic acid [(1S,2S)-1,2-dihydroxy-5-oxo-1-cyclopent-3-enyl]methyl ester
OPENEYE Name: [(1S,2S)-1,2-dihydroxy-5-oxo-cyclopent-3-en-1-yl]methyl acetate
IUPAC Name: [(1S,2S)-1,2-dihydroxy-5-oxocyclopent-3-en-1-yl]methyl acetate
SYSTEMATIC NAME: [(1S,2S)-1,2-bis(oxidanyl)-5-oxidanylidene-cyclopent-3-en-1-yl]methyl ethanoate
MOLECULAR FORMULA: C8H10O5
MOLECULAR WEIGHT: 186.162
SMILES: CC(=O)OC[C@@]1([C@H](C=CC1=O)O)O
Structure:
CAS RN: 56980-10-0
CAS Name: N-carbamoyl-N-(3-chlorophenyl)carbamic acid ethyl ester
OPENEYE Name: ethyl N-carbamoyl-N-(3-chlorophenyl)carbamate
IUPAC Name: ethyl N-carbamoyl-N-(3-chlorophenyl)carbamate
SYSTEMATIC NAME: ethyl N-aminocarbonyl-N-(3-chlorophenyl)carbamate
MOLECULAR FORMULA: C10H11ClN2O3
MOLECULAR WEIGHT: 242.65894
SMILES: CCOC(=O)N(C1=CC(=CC=C1)Cl)C(=O)N
Structure:
CAS RN: 56980-09-7
CAS Name: N-carbamoyl-N-(4-methylphenyl)carbamic acid ethyl ester
OPENEYE Name: ethyl N-carbamoyl-N-(p-tolyl)carbamate
IUPAC Name: ethyl N-carbamoyl-N-(4-methylphenyl)carbamate
SYSTEMATIC NAME: ethyl N-aminocarbonyl-N-(4-methylphenyl)carbamate
MOLECULAR FORMULA: C11H14N2O3
MOLECULAR WEIGHT: 222.24046
SMILES: CCOC(=O)N(C1=CC=C(C=C1)C)C(=O)N
Structure:
CAS RN: 56979-73-8
CAS Name: 1-(5-hydroxy-2-methoxyphenyl)ethane-1,2-diol
OPENEYE Name: 1-(5-hydroxy-2-methoxy-phenyl)ethane-1,2-diol
IUPAC Name: 1-(5-hydroxy-2-methoxyphenyl)ethane-1,2-diol
SYSTEMATIC NAME: 1-(2-methoxy-5-oxidanyl-phenyl)ethane-1,2-diol
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: COC1=C(C=C(C=C1)O)C(CO)O
Structure:
CAS RN: 56979-67-0
CAS Name: 1-(2,5-dimethoxyphenyl)ethane-1,2-diol
OPENEYE Name: 1-(2,5-dimethoxyphenyl)ethane-1,2-diol
IUPAC Name: 1-(2,5-dimethoxyphenyl)ethane-1,2-diol
SYSTEMATIC NAME: 1-(2,5-dimethoxyphenyl)ethane-1,2-diol
MOLECULAR FORMULA: C10H14O4
MOLECULAR WEIGHT: 198.21576
SMILES: COC1=CC(=C(C=C1)OC)C(CO)O
Structure:
CAS RN: 56973-10-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H26N2O
MOLECULAR WEIGHT: 394.50814
SMILES: C1CN(CCN1CCC2=CC=CC=C2)C3=CC4=CC=CC=C4C(=O)C5=CC=CC=C53
Structure:
CAS RN: 56973-09-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H26N2O2
MOLECULAR WEIGHT: 410.50754
SMILES: C1CN(CCN1CC(C2=CC=CC=C2)O)C3=CC4=CC=CC=C4C(=O)C5=CC=CC=C53
Structure:
CAS RN: 56973-08-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H23N3O
MOLECULAR WEIGHT: 381.46962
SMILES: C1CN(CCN1CC2=CN=CC=C2)C3=CC4=CC=CC=C4C(=O)C5=CC=CC=C53
Structure:
CAS RN: 56973-06-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H23ClN2O
MOLECULAR WEIGHT: 414.92662
SMILES: C1CN(CCN1CC2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4C(=O)C5=CC=CC=C53
Structure:
CAS RN: 56973-05-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H26N2O2
MOLECULAR WEIGHT: 410.50754
SMILES: COC1=CC=C(C=C1)CN2CCN(CC2)C3=CC4=CC=CC=C4C(=O)C5=CC=CC=C53
Structure:
CAS RN: 56973-02-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H23N3O2
MOLECULAR WEIGHT: 361.43692
SMILES: CNC(=O)CN1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
Structure:
CAS RN: 56973-01-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H25N3O2
MOLECULAR WEIGHT: 375.4635
SMILES: CN(C)C(=O)CN1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
Structure:
CAS RN: 56972-97-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H27N3O2
MOLECULAR WEIGHT: 389.49008
SMILES: CCCCNC(=O)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
Structure:
CAS RN: 56972-96-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H25N3O4
MOLECULAR WEIGHT: 419.473
SMILES: CCOC(=O)CNC(=O)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
Structure:
CAS RN: 56972-95-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H23N3O2
MOLECULAR WEIGHT: 409.47972
SMILES: C1CN(CCN1C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42)C(=O)NC5=CC=CC=C5
Structure:
CAS RN: 56972-94-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H23N3O2
MOLECULAR WEIGHT: 361.43692
SMILES: CN(C)C(=O)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
Structure:
CAS RN: 56972-93-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H21ClN2O2
MOLECULAR WEIGHT: 428.91014
SMILES: C1CN(CCN1C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42)C(=O)C5=CC=CC=C5Cl
Structure:
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