CAS RN: 362-99-2
CAS Name: (4-fluorophenyl)-phenylmethanone oxime
OPENEYE Name: (4-fluorophenyl)-phenyl-methanone oxime
IUPAC Name: (NZ)-N-[(4-fluorophenyl)-phenylmethylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(4-fluorophenyl)-phenyl-methylidene]hydroxylamine
MOLECULAR FORMULA: C13H10FNO
MOLECULAR WEIGHT: 215.223003
SMILES: C1=CC=C(C=C1)/C(=N/O)/C2=CC=C(C=C2)F
Structure:
CAS RN: 72058-16-3
CAS Name: N-methylcarbamic acid 1-(N,3,5-trimethylanilino)propan-2-yl ester
OPENEYE Name: [1-methyl-2-(N,3,5-trimethylanilino)ethyl] N-methylcarbamate
IUPAC Name: 1-(N,3,5-trimethylanilino)propan-2-yl N-methylcarbamate
SYSTEMATIC NAME: 1-[(3,5-dimethylphenyl)-methyl-amino]propan-2-yl N-methylcarbamate
MOLECULAR FORMULA: C14H22N2O2
MOLECULAR WEIGHT: 250.33668
SMILES: CC1=CC(=CC(=C1)N(C)CC(C)OC(=O)NC)C
Structure:
CAS RN: 3666-89-5
CAS Name: cyclobutyl(triphenyl)phosphonium bromide
OPENEYE Name: cyclobutyl(triphenyl)phosphonium bromide
IUPAC Name: cyclobutyl(triphenyl)phosphanium bromide
SYSTEMATIC NAME: cyclobutyl(triphenyl)phosphanium bromide
MOLECULAR FORMULA: C22H22BrP
MOLECULAR WEIGHT: 397.287841
SMILES: C1CC(C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
Structure:
CAS RN: 167710-87-4
CAS Name: N-[2-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]-1-piperidinyl]ethyl]methanesulfonamide hydrochloride
OPENEYE Name: N-[2-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxo-propyl]-1-piperidyl]ethyl]methanesulfonamide hydrochloride
IUPAC Name: N-[2-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide hydrochloride
SYSTEMATIC NAME: N-[2-[4-[3-[4-azanyl-5-chloranyl-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxidanylidene-propyl]piperidin-1-yl]ethyl]methanesulfonamide hydrochloride
MOLECULAR FORMULA: C26H37Cl2N3O6S
MOLECULAR WEIGHT: 590.55948
SMILES: COC1=CC(=CC(=C1)COC2=CC(=C(C=C2C(=O)CCC3CCN(CC3)CCNS(=O)(=O)C)Cl)N)OC.Cl
Structure:
CAS RN: 93663-89-9
CAS Name: 10-chloro-8-methoxy-11-indeno[1,2-b]quinolinone
OPENEYE Name: 10-chloro-8-methoxy-indeno[1,2-b]quinolin-11-one
IUPAC Name: 10-chloro-8-methoxyindeno[1,2-b]quinolin-11-one
SYSTEMATIC NAME: 10-chloranyl-8-methoxy-indeno[1,2-b]quinolin-11-one
MOLECULAR FORMULA: C17H10ClNO2
MOLECULAR WEIGHT: 295.7198
SMILES: COC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C3=C2Cl
Structure:
CAS RN: 173341-02-1
CAS Name: N-(2-morpholinylmethyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(morpholin-2-ylmethyl)carbamate
IUPAC Name: tert-butyl N-(morpholin-2-ylmethyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(morpholin-2-ylmethyl)carbamate
MOLECULAR FORMULA: C10H20N2O3
MOLECULAR WEIGHT: 216.2774
SMILES: CC(C)(C)OC(=O)NCC1CNCCO1
Structure:
CAS RN: 140645-53-0
CAS Name: 2-(aminomethyl)-4-morpholinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
IUPAC Name: tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
SYSTEMATIC NAME: tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
MOLECULAR FORMULA: C10H20N2O3
MOLECULAR WEIGHT: 216.2774
SMILES: CC(C)(C)OC(=O)N1CCOC(C1)CN
Structure:
CAS RN: 14347-18-3
CAS Name: N-(5-acetyl-2-hydroxyphenyl)methanesulfonamide
OPENEYE Name: N-(5-acetyl-2-hydroxy-phenyl)methanesulfonamide
IUPAC Name: N-(5-acetyl-2-hydroxyphenyl)methanesulfonamide
SYSTEMATIC NAME: N-(5-ethanoyl-2-oxidanyl-phenyl)methanesulfonamide
MOLECULAR FORMULA: C9H11NO4S
MOLECULAR WEIGHT: 229.25294
SMILES: CC(=O)C1=CC(=C(C=C1)O)NS(=O)(=O)C
Structure:
CAS RN: 14347-24-1
CAS Name: N-[5-(2-bromo-1-oxoethyl)-2-hydroxyphenyl]methanesulfonamide
OPENEYE Name: N-[5-(2-bromoacetyl)-2-hydroxy-phenyl]methanesulfonamide
IUPAC Name: N-[5-(2-bromoacetyl)-2-hydroxyphenyl]methanesulfonamide
SYSTEMATIC NAME: N-[5-(2-bromanylethanoyl)-2-oxidanyl-phenyl]methanesulfonamide
MOLECULAR FORMULA: C9H10BrNO4S
MOLECULAR WEIGHT: 308.149
SMILES: CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)CBr)O
Structure:
CAS RN: 159732-45-3
CAS Name: 3,4-dichloropyridine hydrochloride
OPENEYE Name: 3,4-dichloropyridine hydrochloride
IUPAC Name: 3,4-dichloropyridine hydrochloride
SYSTEMATIC NAME: 3,4-bis(chloranyl)pyridine hydrochloride
MOLECULAR FORMULA: C5H4Cl3N
MOLECULAR WEIGHT: 184.45096
SMILES: C1=CN=CC(=C1Cl)Cl.Cl
Structure:
CAS RN: 55389-14-5
CAS Name: 2-bromo-5-fluorobenzenethiol
OPENEYE Name: 2-bromo-5-fluoro-benzenethiol
IUPAC Name: 2-bromo-5-fluorobenzenethiol
SYSTEMATIC NAME: 2-bromanyl-5-fluoranyl-benzenethiol
MOLECULAR FORMULA: C6H4BrFS
MOLECULAR WEIGHT: 207.063363
SMILES: C1=CC(=C(C=C1F)S)Br
Structure:
CAS RN: 64248-57-3
CAS Name: 1,2-difluoro-3-iodobenzene
OPENEYE Name: 1,2-difluoro-3-iodo-benzene
IUPAC Name: 1,2-difluoro-3-iodobenzene
SYSTEMATIC NAME: 1,2-bis(fluoranyl)-3-iodanyl-benzene
MOLECULAR FORMULA: C6H3F2I
MOLECULAR WEIGHT: 239.989296
SMILES: C1=CC(=C(C(=C1)I)F)F
Structure:
CAS RN: 177407-15-7
CAS Name: 1-(1,3-benzoxazol-2-yl)ethanamine
OPENEYE Name: 1-(1,3-benzoxazol-2-yl)ethanamine
IUPAC Name: 1-(1,3-benzoxazol-2-yl)ethanamine
SYSTEMATIC NAME: 1-(1,3-benzoxazol-2-yl)ethanamine
MOLECULAR FORMULA: C9H10N2O
MOLECULAR WEIGHT: 162.1885
SMILES: CC(C1=NC2=CC=CC=C2O1)N
Structure:
CAS RN: 664-66-4
CAS Name: 2,2,3-trifluorobutanedioic acid
OPENEYE Name: 2,2,3-trifluorobutanedioic acid
IUPAC Name: 2,2,3-trifluorobutanedioic acid
SYSTEMATIC NAME: 2,2,3-tris(fluoranyl)butanedioic acid
MOLECULAR FORMULA: C4H3F3O4
MOLECULAR WEIGHT: 172.05943
SMILES: C(C(=O)O)(C(C(=O)O)(F)F)F
Structure:
CAS RN: 12379-41-8
CAS Name: 2,3-dinitrobenzenesulfonic acid
OPENEYE Name: 2,3-dinitrobenzenesulfonic acid
IUPAC Name: 2,3-dinitrobenzenesulfonic acid
SYSTEMATIC NAME: 2,3-dinitrobenzenesulfonic acid
MOLECULAR FORMULA: C6H4N2O7S
MOLECULAR WEIGHT: 248.17016
SMILES: C1=CC(=C(C(=C1)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 213133-77-8
CAS Name: 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
OPENEYE Name: 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
IUPAC Name: 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
SYSTEMATIC NAME: 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
MOLECULAR FORMULA: C14H10Cl2N2
MOLECULAR WEIGHT: 277.1486
SMILES: C1=CC=C2C(=C1)NC(=N2)CC3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 58236-70-7
CAS Name: 5-bromo-3-chloro-1H-pyridin-2-one
OPENEYE Name: 5-bromo-3-chloro-1H-pyridin-2-one
IUPAC Name: 5-bromo-3-chloro-1H-pyridin-2-one
SYSTEMATIC NAME: 5-bromanyl-3-chloranyl-1H-pyridin-2-one
MOLECULAR FORMULA: C5H3BrClNO
MOLECULAR WEIGHT: 208.44042
SMILES: C1=C(C(=O)NC=C1Br)Cl
Structure:
CAS RN: 9064-05-5
CAS Name: ammonium; 2-propenoate; 2-propenoic acid
OPENEYE Name: ammonium; acrylic acid; prop-2-enoate
IUPAC Name: azanium; prop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: azanium; prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C6H11NO4
MOLECULAR WEIGHT: 161.15584
SMILES: C=CC(=O)O.C=CC(=O)[O-].[NH4+]
Structure:
CAS RN: 9079-94-1
CAS Name: ammonium; 2-propenoate; 2-propenoic acid
OPENEYE Name: ammonium; acrylic acid; prop-2-enoate
IUPAC Name: azanium; prop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: azanium; prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C6H11NO4
MOLECULAR WEIGHT: 161.15584
SMILES: C=CC(=O)O.C=CC(=O)[O-].[NH4+]
Structure:
CAS RN: 91337-46-1
CAS Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine
OPENEYE Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine
IUPAC Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine
SYSTEMATIC NAME: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanamine
MOLECULAR FORMULA: C11H15N3
MOLECULAR WEIGHT: 189.2569
SMILES: CC1=CC2=C(C=C1C)N=C(N2)CCN
Structure:
CAS RN: 1695-36-9
CAS Name: 9-fluorobenzo[b]quinolizin-5-ium perchlorate
OPENEYE Name: 9-fluorobenzo[b]quinolizin-5-ium perchlorate
IUPAC Name: 9-fluorobenzo[b]quinolizin-5-ium perchlorate
SYSTEMATIC NAME: 9-fluoranylbenzo[b]quinolizin-5-ium perchlorate
MOLECULAR FORMULA: C13H9ClFNO4
MOLECULAR WEIGHT: 297.666263
SMILES: C1=CC=[N+]2C=C3C=CC(=CC3=CC2=C1)F.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 93803-61-3
CAS Name: 2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-4,6-di(propan-2-yl)phenol
OPENEYE Name: 2-[(2-hydroxy-3,5-diisopropyl-phenyl)methyl]-4,6-diisopropyl-phenol
IUPAC Name: 2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-4,6-di(propan-2-yl)phenol
SYSTEMATIC NAME: 2-[[2-oxidanyl-3,5-di(propan-2-yl)phenyl]methyl]-4,6-di(propan-2-yl)phenol
MOLECULAR FORMULA: C25H36O2
MOLECULAR WEIGHT: 368.55214
SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)O)CC2=C(C(=CC(=C2)C(C)C)C(C)C)O
Structure:
CAS RN: 94135-73-6
CAS Name: acetic acid 2-thiophen-2-ylethyl ester
OPENEYE Name: 2-(2-thienyl)ethyl acetate
IUPAC Name: 2-thiophen-2-ylethyl acetate
SYSTEMATIC NAME: 2-thiophen-2-ylethyl ethanoate
MOLECULAR FORMULA: C8H10O2S
MOLECULAR WEIGHT: 170.2288
SMILES: CC(=O)OCCC1=CC=CS1
Structure:
CAS RN: 16173-99-2
CAS Name: 6-ethenyl-3-pyridinecarbonitrile
OPENEYE Name: 6-vinylpyridine-3-carbonitrile
IUPAC Name: 6-ethenylpyridine-3-carbonitrile
SYSTEMATIC NAME: 6-ethenylpyridine-3-carbonitrile
MOLECULAR FORMULA: C8H6N2
MOLECULAR WEIGHT: 130.14664
SMILES: C=CC1=NC=C(C=C1)C#N
Structure:
CAS RN: 4766-33-0
CAS Name: 5-bromo-1-naphthalenamine
OPENEYE Name: 5-bromonaphthalen-1-amine
IUPAC Name: 5-bromonaphthalen-1-amine
SYSTEMATIC NAME: 5-bromanylnaphthalen-1-amine
MOLECULAR FORMULA: C10H8BrN
MOLECULAR WEIGHT: 222.08122
SMILES: C1=CC2=C(C=CC=C2Br)C(=C1)N
Structure:
CAS RN: 344-16-1
CAS Name: 1-bromo-2-fluoro-3,5-dimethylbenzene
OPENEYE Name: 1-bromo-2-fluoro-3,5-dimethyl-benzene
IUPAC Name: 1-bromo-2-fluoro-3,5-dimethylbenzene
SYSTEMATIC NAME: 1-bromanyl-2-fluoranyl-3,5-dimethyl-benzene
MOLECULAR FORMULA: C8H8BrF
MOLECULAR WEIGHT: 203.051523
SMILES: CC1=CC(=C(C(=C1)Br)F)C
Structure:
CAS RN: 5399-63-3
CAS Name: potassium 4-sulfobenzoic acid
OPENEYE Name: potassium 4-sulfobenzoic acid
IUPAC Name: potassium 4-sulfobenzoic acid
SYSTEMATIC NAME: potassium 4-sulfobenzoic acid
MOLECULAR FORMULA: C7H6KO5S+
MOLECULAR WEIGHT: 241.28284
SMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)O.[K+]
Structure:
CAS RN: 173900-45-3
CAS Name: 3-chloro-4-hydroxy-5-methylbenzonitrile
OPENEYE Name: 3-chloro-4-hydroxy-5-methyl-benzonitrile
IUPAC Name: 3-chloro-4-hydroxy-5-methylbenzonitrile
SYSTEMATIC NAME: 3-chloranyl-5-methyl-4-oxidanyl-benzenecarbonitrile
MOLECULAR FORMULA: C8H6ClNO
MOLECULAR WEIGHT: 167.59234
SMILES: CC1=C(C(=CC(=C1)C#N)Cl)O
Structure:
CAS RN: 136423-06-8
CAS Name: 2-(phenylmethyl)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-benzylpiperidine-1-carboxylate
IUPAC Name: tert-butyl 2-benzylpiperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 2-(phenylmethyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CC(C)(C)OC(=O)N1CCCCC1CC2=CC=CC=C2
Structure:
CAS RN: 52123-30-5
CAS Name: 6-amino-2-[(2,6-diamino-1-oxohexyl)amino]hexanoic acid dihydrochloride
OPENEYE Name: 6-amino-2-(2,6-diaminohexanoylamino)hexanoic acid dihydrochloride
IUPAC Name: 6-amino-2-(2,6-diaminohexanoylamino)hexanoic acid dihydrochloride
SYSTEMATIC NAME: 6-azanyl-2-[2,6-bis(azanyl)hexanoylamino]hexanoic acid dihydrochloride
MOLECULAR FORMULA: C12H28Cl2N4O3
MOLECULAR WEIGHT: 347.28172
SMILES: C(CCN)CC(C(=O)NC(CCCCN)C(=O)O)N.Cl.Cl
Structure:
CAS RN: 159635-46-8
CAS Name: 1-spiro[2H-indole-3,4'-piperidine]carboxylic acid (phenylmethyl) ester hydrochloride
OPENEYE Name: benzyl spiro[indoline-3,4'-piperidine]-1-carboxylate hydrochloride
IUPAC Name: benzyl spiro[2H-indole-3,4'-piperidine]-1-carboxylate hydrochloride
SYSTEMATIC NAME: (phenylmethyl) spiro[2H-indole-3,4'-piperidine]-1-carboxylate hydrochloride
MOLECULAR FORMULA: C20H23ClN2O2
MOLECULAR WEIGHT: 358.86182
SMILES: C1CNCCC12CN(C3=CC=CC=C23)C(=O)OCC4=CC=CC=C4.Cl
Structure:
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