CAS RN: 7495-30-9
CAS Name: 2-(3,5-dibromo-1-pyridin-1-iumyl)-1-(4-phenylphenyl)ethanone bromide
OPENEYE Name: 2-(3,5-dibromopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide
IUPAC Name: 2-(3,5-dibromopyridin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide
SYSTEMATIC NAME: 2-[3,5-bis(bromanyl)pyridin-1-ium-1-yl]-1-(4-phenylphenyl)ethanone bromide
MOLECULAR FORMULA: C19H14Br3NO
MOLECULAR WEIGHT: 512.03256
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC(=CC(=C3)Br)Br.[Br-]
Structure:
CAS RN: 5467-63-0
CAS Name: 5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[[4-(dimethylamino)-3-nitro-phenyl]methylene]-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[[4-(dimethylamino)-3-nitro-phenyl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C20H18N4O5
MOLECULAR WEIGHT: 394.38072
SMILES: CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])C(=O)NC2=O
Structure:
CAS RN: 37656-66-9
CAS Name: 4-(4-chloroanilino)-1-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
IUPAC Name: ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[(4-chlorophenyl)amino]piperidine-1-carboxylate
MOLECULAR FORMULA: C14H19ClN2O2
MOLECULAR WEIGHT: 282.76586
SMILES: CCOC(=O)N1CCC(CC1)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 77387-64-5
CAS Name: 1,2-bis(4-tert-butylphenyl)-2-hydroxyethanone
OPENEYE Name: 1,2-bis(4-tert-butylphenyl)-2-hydroxy-ethanone
IUPAC Name: 1,2-bis(4-tert-butylphenyl)-2-hydroxyethanone
SYSTEMATIC NAME: 1,2-bis(4-tert-butylphenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C22H28O2
MOLECULAR WEIGHT: 324.45652
SMILES: CC(C)(C)C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C(C)(C)C)O
Structure:
CAS RN: 5467-38-9
CAS Name: 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester
OPENEYE Name: cyclopentyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
IUPAC Name: cyclopentyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: cyclopentyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C24H28FNO3
MOLECULAR WEIGHT: 397.482423
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)F)C(=O)OC4CCCC4
Structure:
CAS RN: 5467-29-8
CAS Name: 4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
OPENEYE Name: methyl 4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: methyl 4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl 4-(2-iodanylphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C24H22INO3
MOLECULAR WEIGHT: 499.34085
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4I)C(=O)OC
Structure:
CAS RN: 5467-13-0
CAS Name: 6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methylcyclohexyl) ester
OPENEYE Name: (4-methylcyclohexyl) 6-methyl-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: (4-methylcyclohexyl) 6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: (4-methylcyclohexyl) 6-methyl-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C20H26N2O3
MOLECULAR WEIGHT: 342.43204
SMILES: CC1CCC(CC1)OC(=O)C2=C(NC(=O)NC2C3=CC=C(C=C3)C)C
Structure:
CAS RN: 5466-83-1
CAS Name: 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
OPENEYE Name: methyl 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: methyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C14H15ClN2O5
MOLECULAR WEIGHT: 326.7323
SMILES: CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OC
Structure:
CAS RN: 5459-43-8
CAS Name: N-[[3-(4-chlorophenoxy)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine
OPENEYE Name: N-[[3-(4-chlorophenoxy)phenyl]methyl]indan-5-amine
IUPAC Name: N-[[3-(4-chlorophenoxy)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine
SYSTEMATIC NAME: N-[[3-(4-chloranylphenoxy)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine
MOLECULAR FORMULA: C22H20ClNO
MOLECULAR WEIGHT: 349.8533
SMILES: C1CC2=C(C1)C=C(C=C2)NCC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl
Structure:
CAS RN: 5432-05-3
CAS Name: 1-(2-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine
OPENEYE Name: 1-[(3-benzyloxyphenyl)methyl]-4-(2-fluorophenyl)piperazine
IUPAC Name: 1-(2-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-(2-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine
MOLECULAR FORMULA: C24H25FN2O
MOLECULAR WEIGHT: 376.466503
SMILES: C1CN(CCN1CC2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4F
Structure:
CAS RN: 4506-38-1
CAS Name: 1,5-dimethyl-2-phenyl-4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]-3-pyrazolone
OPENEYE Name: 1,5-dimethyl-2-phenyl-4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]pyrazol-3-one
IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]pyrazol-3-one
SYSTEMATIC NAME: 1,5-dimethyl-2-phenyl-4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methyl]pyrazol-3-one
MOLECULAR FORMULA: C22H31N3O
MOLECULAR WEIGHT: 353.50104
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CC4(CC3CC(C4)(C)C)C
Structure:
CAS RN: 5422-06-0
CAS Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-2-ethylpiperidine
OPENEYE Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-2-ethyl-piperidine
IUPAC Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-2-ethylpiperidine
SYSTEMATIC NAME: 1-[[3-(4-chloranylphenoxy)phenyl]methyl]-2-ethyl-piperidine
MOLECULAR FORMULA: C20H24ClNO
MOLECULAR WEIGHT: 329.86366
SMILES: CCC1CCCCN1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl
Structure:
CAS RN: 5420-83-7
CAS Name: 1-(2-chlorophenyl)-4-(1-cyclohex-3-enylmethyl)piperazine
OPENEYE Name: 1-(2-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
IUPAC Name: 1-(2-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
MOLECULAR FORMULA: C17H23ClN2
MOLECULAR WEIGHT: 290.83092
SMILES: C1CC(CC=C1)CN2CCN(CC2)C3=CC=CC=C3Cl
Structure:
CAS RN: 5415-70-3
CAS Name: 4-methoxy-2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]phenol
OPENEYE Name: 4-methoxy-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
IUPAC Name: 4-methoxy-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
SYSTEMATIC NAME: 4-methoxy-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenol
MOLECULAR FORMULA: C19H24N2O3
MOLECULAR WEIGHT: 328.40546
SMILES: COC1=CC(=C(C=C1)O)CN2CCN(CC2)C3=CC=CC=C3OC
Structure:
CAS RN: 5406-63-3
CAS Name: N-phenylcarbamic acid 2-(2,4,6-trichlorophenoxy)ethyl ester
OPENEYE Name: 2-(2,4,6-trichlorophenoxy)ethyl N-phenylcarbamate
IUPAC Name: 2-(2,4,6-trichlorophenoxy)ethyl N-phenylcarbamate
SYSTEMATIC NAME: 2-[2,4,6-tris(chloranyl)phenoxy]ethyl N-phenylcarbamate
MOLECULAR FORMULA: C15H12Cl3NO3
MOLECULAR WEIGHT: 360.61968
SMILES: C1=CC=C(C=C1)NC(=O)OCCOC2=C(C=C(C=C2Cl)Cl)Cl
Structure:
CAS RN: 100073-45-8
CAS Name: 2-(diethylamino)-1-(2-naphthalenyl)-1-propanone hydrochloride
OPENEYE Name: 2-(diethylamino)-1-(2-naphthyl)propan-1-one hydrochloride
IUPAC Name: 2-(diethylamino)-1-naphthalen-2-ylpropan-1-one hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)-1-naphthalen-2-yl-propan-1-one hydrochloride
MOLECULAR FORMULA: C17H22ClNO
MOLECULAR WEIGHT: 291.81568
SMILES: CCN(CC)C(C)C(=O)C1=CC2=CC=CC=C2C=C1.Cl
Structure:
CAS RN: 5406-29-1
CAS Name: 2-(diethylamino)-1-(2-naphthalenyl)-1-propanone hydrochloride
OPENEYE Name: 2-(diethylamino)-1-(2-naphthyl)propan-1-one hydrochloride
IUPAC Name: 2-(diethylamino)-1-naphthalen-2-ylpropan-1-one hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)-1-naphthalen-2-yl-propan-1-one hydrochloride
MOLECULAR FORMULA: C17H22ClNO
MOLECULAR WEIGHT: 291.81568
SMILES: CCN(CC)C(C)C(=O)C1=CC2=CC=CC=C2C=C1.Cl
Structure:
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