CAS RN: 61945-56-0
CAS Name: N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide
OPENEYE Name: N,N-dimethyl-N'-(1-methyl-2-phenyl-ethyl)acetamidine
IUPAC Name: N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide
SYSTEMATIC NAME: N,N-dimethyl-N'-(1-phenylpropan-2-yl)ethanimidamide
MOLECULAR FORMULA: C13H20N2
MOLECULAR WEIGHT: 204.3113
SMILES: CC(CC1=CC=CC=C1)N=C(C)N(C)C
Structure:
CAS RN: 61945-55-9
CAS Name: N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide
OPENEYE Name: N-methyl-N,N'-bis(1-methyl-2-phenyl-ethyl)formamidine
IUPAC Name: N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide
SYSTEMATIC NAME: N-methyl-N,N'-bis(1-phenylpropan-2-yl)methanimidamide
MOLECULAR FORMULA: C20H26N2
MOLECULAR WEIGHT: 294.43384
SMILES: CC(CC1=CC=CC=C1)N=CN(C)C(C)CC2=CC=CC=C2
Structure:
CAS RN: 61945-52-6
CAS Name: N,N'-bis(1-phenylpropan-2-yl)ethanimidamide
OPENEYE Name: N,N'-bis(1-methyl-2-phenyl-ethyl)acetamidine
IUPAC Name: N,N'-bis(1-phenylpropan-2-yl)ethanimidamide
SYSTEMATIC NAME: N,N'-bis(1-phenylpropan-2-yl)ethanimidamide
MOLECULAR FORMULA: C20H26N2
MOLECULAR WEIGHT: 294.43384
SMILES: CC(CC1=CC=CC=C1)NC(=NC(C)CC2=CC=CC=C2)C
Structure:
CAS RN: 61945-51-5
CAS Name: N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide
OPENEYE Name: N,N-dimethyl-N'-(2-phenylethyl)acetamidine
IUPAC Name: N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide
SYSTEMATIC NAME: N,N-dimethyl-N'-(2-phenylethyl)ethanimidamide
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: CC(=NCCC1=CC=CC=C1)N(C)C
Structure:
CAS RN: 61945-50-4
CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-dimethylmethanimidamide; phosphoric acid
OPENEYE Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-dimethyl-formamidine; phosphoric acid
IUPAC Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-dimethylmethanimidamide; phosphoric acid
SYSTEMATIC NAME: N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-dimethyl-methanimidamide; phosphoric acid
MOLECULAR FORMULA: C13H23N2O6P
MOLECULAR WEIGHT: 334.305281
SMILES: CN(C)C=NCCC1=CC(=C(C=C1)OC)OC.OP(=O)(O)O
Structure:
CAS RN: 61945-48-0
CAS Name: N,N-dimethyl-N'-(1-phenylpropan-2-yl)methanimidamide; phosphoric acid
OPENEYE Name: N,N-dimethyl-N'-(1-methyl-2-phenyl-ethyl)formamidine; phosphoric acid
IUPAC Name: N,N-dimethyl-N'-(1-phenylpropan-2-yl)methanimidamide; phosphoric acid
SYSTEMATIC NAME: N,N-dimethyl-N'-(1-phenylpropan-2-yl)methanimidamide; phosphoric acid
MOLECULAR FORMULA: C12H21N2O4P
MOLECULAR WEIGHT: 288.279901
SMILES: CC(CC1=CC=CC=C1)N=CN(C)C.OP(=O)(O)O
Structure:
CAS RN: 61940-72-5
CAS Name: 3-(2-methylpropoxy)propane-1,2-diol
OPENEYE Name: 3-isobutoxypropane-1,2-diol
IUPAC Name: 3-(2-methylpropoxy)propane-1,2-diol
SYSTEMATIC NAME: 3-(2-methylpropoxy)propane-1,2-diol
MOLECULAR FORMULA: C7H16O3
MOLECULAR WEIGHT: 148.20014
SMILES: CC(C)COCC(CO)O
Structure:
CAS RN: 61939-05-7
CAS Name: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline hydrochloride
OPENEYE Name: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline hydrochloride
IUPAC Name: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline hydrochloride
SYSTEMATIC NAME: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline hydrochloride
MOLECULAR FORMULA: C11H13ClN2
MOLECULAR WEIGHT: 208.68732
SMILES: C1CC2=NC3=CC=CC=C3CN2C1.Cl
Structure:
CAS RN: 61925-70-0
CAS Name: 4-tert-butyl-N-(3,3-diphenylpropyl)-1-cyclohexanamine hydrochloride
OPENEYE Name: 4-tert-butyl-N-(3,3-diphenylpropyl)cyclohexanamine hydrochloride
IUPAC Name: 4-tert-butyl-N-(3,3-diphenylpropyl)cyclohexan-1-amine hydrochloride
SYSTEMATIC NAME: 4-tert-butyl-N-(3,3-diphenylpropyl)cyclohexan-1-amine hydrochloride
MOLECULAR FORMULA: C25H36ClN
MOLECULAR WEIGHT: 386.01304
SMILES: CC(C)(C)C1CCC(CC1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 61901-00-6
CAS Name: 2-butanamine; carbonic acid
OPENEYE Name: butan-2-amine; carbonic acid
IUPAC Name: butan-2-amine; carbonic acid
SYSTEMATIC NAME: butan-2-amine; carbonic acid
MOLECULAR FORMULA: C5H13NO3
MOLECULAR WEIGHT: 135.16162
SMILES: CCC(C)N.C(=O)(O)O
Structure:
CAS RN: 61899-79-4
CAS Name: N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxo-6-quinazolinyl]acetamide
OPENEYE Name: N-[2-(fluoromethyl)-3-(o-tolyl)-4-oxo-quinazolin-6-yl]acetamide
IUPAC Name: N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]acetamide
SYSTEMATIC NAME: N-[2-(fluoranylmethyl)-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-6-yl]ethanamide
MOLECULAR FORMULA: C18H16FN3O2
MOLECULAR WEIGHT: 325.336943
SMILES: CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)NC(=O)C)CF
Structure:
CAS RN: 61897-43-6
CAS Name: 3-[4-[2-(diphenylmethyl)oxyethyl]-1-piperazinyl]propanamide dihydrochloride
OPENEYE Name: 3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanamide dihydrochloride
IUPAC Name: 3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanamide dihydrochloride
SYSTEMATIC NAME: 3-[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]propanamide dihydrochloride
MOLECULAR FORMULA: C22H31Cl2N3O2
MOLECULAR WEIGHT: 440.40644
SMILES: C1CN(CCN1CCC(=O)N)CCOC(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 61897-40-3
CAS Name: 3-[4-[2-(diphenylmethyl)oxyethyl]-1-piperazinyl]propanenitrile dihydrochloride
OPENEYE Name: 3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanenitrile dihydrochloride
IUPAC Name: 3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanenitrile dihydrochloride
SYSTEMATIC NAME: 3-[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]propanenitrile dihydrochloride
MOLECULAR FORMULA: C22H29Cl2N3O
MOLECULAR WEIGHT: 422.39116
SMILES: C1CN(CCN1CCC#N)CCOC(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 61897-38-9
CAS Name: 3-[4-[3-(diphenylmethyl)oxypropyl]-1-piperazinyl]propanoic acid ethyl ester dihydrochloride
OPENEYE Name: ethyl 3-[4-(3-benzhydryloxypropyl)piperazin-1-yl]propanoate dihydrochloride
IUPAC Name: ethyl 3-[4-(3-benzhydryloxypropyl)piperazin-1-yl]propanoate dihydrochloride
SYSTEMATIC NAME: ethyl 3-[4-[3-(diphenylmethyl)oxypropyl]piperazin-1-yl]propanoate dihydrochloride
MOLECULAR FORMULA: C25H36Cl2N2O3
MOLECULAR WEIGHT: 483.47094
SMILES: CCOC(=O)CCN1CCN(CC1)CCCOC(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 61897-31-2
CAS Name: 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-piperazinyl]propanoic acid ethyl ester dihydrochloride
OPENEYE Name: ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate dihydrochloride
IUPAC Name: ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate dihydrochloride
SYSTEMATIC NAME: ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate dihydrochloride
MOLECULAR FORMULA: C24H32Cl2F2N2O3
MOLECULAR WEIGHT: 505.425286
SMILES: CCOC(=O)CCN1CCN(CC1)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.Cl.Cl
Structure:
CAS RN: 61897-30-1
CAS Name: 3-[4-[2-[(4-nitrophenyl)-phenylmethoxy]ethyl]-1-piperazinyl]propanoic acid ethyl ester dihydrochloride
OPENEYE Name: ethyl 3-[4-[2-[(4-nitrophenyl)-phenyl-methoxy]ethyl]piperazin-1-yl]propanoate dihydrochloride
IUPAC Name: ethyl 3-[4-[2-[(4-nitrophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoate dihydrochloride
SYSTEMATIC NAME: ethyl 3-[4-[2-[(4-nitrophenyl)-phenyl-methoxy]ethyl]piperazin-1-yl]propanoate dihydrochloride
MOLECULAR FORMULA: C24H33Cl2N3O5
MOLECULAR WEIGHT: 514.44192
SMILES: CCOC(=O)CCN1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-].Cl.Cl
Structure:
CAS RN: 61897-25-4
CAS Name: 3-[4-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-1-piperazinyl]propanoic acid ethyl ester dihydrochloride
OPENEYE Name: ethyl 3-[4-[2-[(2-chlorophenyl)-phenyl-methoxy]ethyl]piperazin-1-yl]propanoate dihydrochloride
IUPAC Name: ethyl 3-[4-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoate dihydrochloride
SYSTEMATIC NAME: ethyl 3-[4-[2-[(2-chlorophenyl)-phenyl-methoxy]ethyl]piperazin-1-yl]propanoate dihydrochloride
MOLECULAR FORMULA: C24H33Cl3N2O3
MOLECULAR WEIGHT: 503.88942
SMILES: CCOC(=O)CCN1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3Cl.Cl.Cl
Structure:
CAS RN: 61888-75-3
CAS Name: 2-[3-(4-chlorophenyl)-5-hydroxyphenyl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[3-(4-chlorophenyl)-5-hydroxy-phenyl]acetate
IUPAC Name: ethyl 2-[3-(4-chlorophenyl)-5-hydroxyphenyl]acetate
SYSTEMATIC NAME: ethyl 2-[3-(4-chlorophenyl)-5-oxidanyl-phenyl]ethanoate
MOLECULAR FORMULA: C16H15ClO3
MOLECULAR WEIGHT: 290.7415
SMILES: CCOC(=O)CC1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)O
Structure:
CAS RN: 61888-72-0
CAS Name: 2-[3-acetyloxy-5-(4-chlorophenyl)phenyl]acetic acid methyl ester
OPENEYE Name: methyl 2-[3-acetoxy-5-(4-chlorophenyl)phenyl]acetate
IUPAC Name: methyl 2-[3-acetyloxy-5-(4-chlorophenyl)phenyl]acetate
SYSTEMATIC NAME: methyl 2-[3-acetyloxy-5-(4-chlorophenyl)phenyl]ethanoate
MOLECULAR FORMULA: C17H15ClO4
MOLECULAR WEIGHT: 318.7516
SMILES: CC(=O)OC1=CC(=CC(=C1)CC(=O)OC)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 61888-70-8
CAS Name: 2-[3-(4-chlorophenyl)-5-methoxyphenyl]-N-hydroxyacetamide
OPENEYE Name: 2-[3-(4-chlorophenyl)-5-methoxy-phenyl]ethanehydroxamic acid
IUPAC Name: 2-[3-(4-chlorophenyl)-5-methoxyphenyl]-N-hydroxyacetamide
SYSTEMATIC NAME: 2-[3-(4-chlorophenyl)-5-methoxy-phenyl]-N-oxidanyl-ethanamide
MOLECULAR FORMULA: C15H14ClNO3
MOLECULAR WEIGHT: 291.72956
SMILES: COC1=CC(=CC(=C1)CC(=O)NO)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 61888-69-5
CAS Name: 2-[3-(4-chlorophenyl)-5-methoxyphenyl]acetamide
OPENEYE Name: 2-[3-(4-chlorophenyl)-5-methoxy-phenyl]acetamide
IUPAC Name: 2-[3-(4-chlorophenyl)-5-methoxyphenyl]acetamide
SYSTEMATIC NAME: 2-[3-(4-chlorophenyl)-5-methoxy-phenyl]ethanamide
MOLECULAR FORMULA: C15H14ClNO2
MOLECULAR WEIGHT: 275.73016
SMILES: COC1=CC(=CC(=C1)CC(=O)N)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 61888-57-1
CAS Name: 2-(3-butoxy-5-phenylphenyl)acetic acid
OPENEYE Name: 2-(3-butoxy-5-phenyl-phenyl)acetic acid
IUPAC Name: 2-(3-butoxy-5-phenylphenyl)acetic acid
SYSTEMATIC NAME: 2-(3-butoxy-5-phenyl-phenyl)ethanoic acid
MOLECULAR FORMULA: C18H20O3
MOLECULAR WEIGHT: 284.3496
SMILES: CCCCOC1=CC(=CC(=C1)CC(=O)O)C2=CC=CC=C2
Structure:
CAS RN: 61887-08-9
CAS Name: 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-2-methylpropanamide
OPENEYE Name: 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-2-methyl-propanamide
IUPAC Name: 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-2-methylpropanamide
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-N-[3-(diethylamino)propyl]-2-methyl-propanamide
MOLECULAR FORMULA: C17H27ClN2O2
MOLECULAR WEIGHT: 326.86148
SMILES: CCN(CC)CCCNC(=O)C(C)(C)OC1=CC=C(C=C1)Cl
Structure:
CAS RN: 61871-58-7
CAS Name: 4-methyl-2,6-dioxo-4-pentylpiperidine-3,5-dicarbonitrile
OPENEYE Name: 4-methyl-2,6-dioxo-4-pentyl-piperidine-3,5-dicarbonitrile
IUPAC Name: 4-methyl-2,6-dioxo-4-pentylpiperidine-3,5-dicarbonitrile
SYSTEMATIC NAME: 4-methyl-2,6-bis(oxidanylidene)-4-pentyl-piperidine-3,5-dicarbonitrile
MOLECULAR FORMULA: C13H17N3O2
MOLECULAR WEIGHT: 247.29298
SMILES: CCCCCC1(C(C(=O)NC(=O)C1C#N)C#N)C
Structure:
CAS RN: 61866-77-1
CAS Name: 2-[2-(methylamino)propyl]phenol hydrochloride
OPENEYE Name: 2-[2-(methylamino)propyl]phenol hydrochloride
IUPAC Name: 2-[2-(methylamino)propyl]phenol hydrochloride
SYSTEMATIC NAME: 2-[2-(methylamino)propyl]phenol hydrochloride
MOLECULAR FORMULA: C10H16ClNO
MOLECULAR WEIGHT: 201.69314
SMILES: CC(CC1=CC=CC=C1O)NC.Cl
Structure:
CAS RN: 61862-22-4
CAS Name: 1-[3-(dimethylamino)phenyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-[3-(dimethylamino)phenyl]pyrrolidine-2,5-dione
IUPAC Name: 1-[3-(dimethylamino)phenyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[3-(dimethylamino)phenyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CN(C)C1=CC=CC(=C1)N2C(=O)CCC2=O
Structure:
CAS RN: 61857-87-2
CAS Name: 3H-pyridazino[4,5-b]quinoxalin-4-one
OPENEYE Name: 3H-pyridazino[4,5-b]quinoxalin-4-one
IUPAC Name: 3H-pyridazino[4,5-b]quinoxalin-4-one
SYSTEMATIC NAME: 3H-pyridazino[4,5-b]quinoxalin-4-one
MOLECULAR FORMULA: C10H6N4O
MOLECULAR WEIGHT: 198.18084
SMILES: C1=CC=C2C(=C1)N=C3C=NNC(=O)C3=N2
Structure:
CAS RN: 61849-16-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H27NO5S
MOLECULAR WEIGHT: 393.49708
SMILES: C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4=COC=C4)C)C=C(C=C3)O.CS(=O)(=O)O
Structure:
CAS RN: 61849-15-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28ClNO2
MOLECULAR WEIGHT: 361.90552
SMILES: CC[C@H]1[C@@H]2CC3=C([C@@]1(CCN2CC4=COC=C4)CC)C=C(C=C3)O.Cl
Structure:
CAS RN: 61846-07-9
CAS Name: (1S,8S)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
OPENEYE Name: (1S,8S)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
IUPAC Name: (1S,8S)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
SYSTEMATIC NAME: (1S,8S)-1-oxidanyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
MOLECULAR FORMULA: C13H15NO2
MOLECULAR WEIGHT: 217.2637
SMILES: C1C[C@H]2[C@](CC(=O)N2C1)(C3=CC=CC=C3)O
Structure:
CAS RN: 61843-91-2
CAS Name: 1-ethyl-3-(phenylmethyl)urea
OPENEYE Name: 1-benzyl-3-ethyl-urea
IUPAC Name: 1-benzyl-3-ethylurea
SYSTEMATIC NAME: 1-ethyl-3-(phenylmethyl)urea
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CCNC(=O)NCC1=CC=CC=C1
Structure:
CAS RN: 61839-06-3
CAS Name: 2,3,5,6-tetraiodobenzene-1,4-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,3,5,6-tetraiodobenzene-1,4-dicarboxylate
IUPAC Name: dimethyl 2,3,5,6-tetraiodobenzene-1,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,3,5,6-tetrakis(iodanyl)benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C10H6I4O4
MOLECULAR WEIGHT: 697.77012
SMILES: COC(=O)C1=C(C(=C(C(=C1I)I)C(=O)OC)I)I
Structure:
CAS RN: 61838-99-1
CAS Name: 2,3,5,6-tetraiodobenzene-1,4-dicarboxylic acid bis(2,3-dihydroxypropyl) ester
OPENEYE Name: bis(2,3-dihydroxypropyl) 2,3,5,6-tetraiodobenzene-1,4-dicarboxylate
IUPAC Name: bis(2,3-dihydroxypropyl) 2,3,5,6-tetraiodobenzene-1,4-dicarboxylate
SYSTEMATIC NAME: bis[2,3-bis(oxidanyl)propyl] 2,3,5,6-tetrakis(iodanyl)benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C14H14I4O8
MOLECULAR WEIGHT: 817.87404
SMILES: C(C(COC(=O)C1=C(C(=C(C(=C1I)I)C(=O)OCC(CO)O)I)I)O)O
Structure:
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