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CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C9H16ClN4+
MOLECULAR WEIGHT: 215.70314
SMILES: C1N2CN3CN1C[N+](C2)(C3)CC=CCl
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Product OPENEYE NAME: dodecanedihydrazide
CAS Name: dodecanedihydrazide
IUPAC NAME: dodecanedihydrazide
SYSTEMATIC NAME: dodecanedihydrazide
MOLECULAR FORMULA: C12H26N4O2
MOLECULAR WEIGHT: 258.36044
SMILES: C(CCCCCC(=O)NN)CCCCC(=O)NN
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Product OPENEYE NAME: 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol
CAS Name: 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol
IUPAC NAME: 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol
SYSTEMATIC NAME: 2-[[6-[(2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol
MOLECULAR FORMULA: C20H24N2O2
MOLECULAR WEIGHT: 324.41676
SMILES: C1=CC=C(C(=C1)CN=CCCCCC=NCC2=CC=CC=C2O)O
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Product OPENEYE NAME: 3-(azepan-1-yl)-2-methyl-1,1-diphenyl-propan-1-ol
CAS Name: 3-(1-azepanyl)-2-methyl-1,1-diphenyl-1-propanol
IUPAC NAME: 3-(azepan-1-yl)-2-methyl-1,1-diphenylpropan-1-ol
SYSTEMATIC NAME: 3-(azepan-1-yl)-2-methyl-1,1-diphenyl-propan-1-ol
MOLECULAR FORMULA: C22H29NO
MOLECULAR WEIGHT: 323.47176
SMILES: CC(CN1CCCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
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Product OPENEYE NAME: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-diphenyl-butan-1-ol
CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-diphenyl-1-butanol
IUPAC NAME: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-diphenylbutan-1-ol
SYSTEMATIC NAME: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1,1-diphenyl-butan-1-ol
MOLECULAR FORMULA: C25H27NO
MOLECULAR WEIGHT: 357.48798
SMILES: CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)N3CCC4=CC=CC=C4C3
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Product OPENEYE NAME: methyl nonacosanoate
CAS Name: nonacosanoic acid methyl ester
IUPAC NAME: methyl nonacosanoate
SYSTEMATIC NAME: methyl nonacosanoate
MOLECULAR FORMULA: C30H60O2
MOLECULAR WEIGHT: 452.7962
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
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Product OPENEYE NAME: 1,3-bis(ethylsulfanylmethyl)imidazolidine-1,3-diium dichloride
CAS Name: 1,3-bis[(ethylthio)methyl]imidazolidine-1,3-diium dichloride
IUPAC NAME: 1,3-bis(ethylsulfanylmethyl)imidazolidine-1,3-diium dichloride
SYSTEMATIC NAME: 1,3-bis(ethylsulfanylmethyl)imidazolidine-1,3-diium dichloride
MOLECULAR FORMULA: C9H22Cl2N2S2
MOLECULAR WEIGHT: 293.32038
SMILES: CCSC[NH+]1CC[NH+](C1)CSCC.[Cl-].[Cl-]
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Product OPENEYE NAME: 1,3-bis(ethylsulfanylmethyl)imidazolidine
CAS Name: 1,3-bis[(ethylthio)methyl]imidazolidine
IUPAC NAME: 1,3-bis(ethylsulfanylmethyl)imidazolidine
SYSTEMATIC NAME: 1,3-bis(ethylsulfanylmethyl)imidazolidine
MOLECULAR FORMULA: C9H20N2S2
MOLECULAR WEIGHT: 220.3985
SMILES: CCSCN1CCN(C1)CSCC
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Product OPENEYE NAME: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-dimethyl-ammonium dichloride
CAS Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-dimethylammonium dichloride
IUPAC NAME: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-dimethylazanium dichloride
SYSTEMATIC NAME: 3-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-dimethyl-azanium dichloride
MOLECULAR FORMULA: C20H25Cl3FN3O
MOLECULAR WEIGHT: 448.789403
SMILES: C[NH+](C)CCCN1C(=O)C[NH2+]C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.[Cl-].[Cl-]
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Product OPENEYE NAME: 7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CAS Name: 7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C20H23ClFN3O
MOLECULAR WEIGHT: 375.867523
SMILES: CN(C)CCCN1C(=O)CNC(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
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Product OPENEYE NAME: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-diethyl-ammonium dichloride
CAS Name: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-diethylammonium dichloride
IUPAC NAME: 3-[7-chloro-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-diethylazanium dichloride
SYSTEMATIC NAME: 3-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1,4-benzodiazepin-4-ium-1-yl]propyl-diethyl-azanium dichloride
MOLECULAR FORMULA: C22H29Cl3FN3O
MOLECULAR WEIGHT: 476.842563
SMILES: CC[NH+](CC)CCCN1C(=O)C[NH2+]C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F.[Cl-].[Cl-]
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Product OPENEYE NAME: 7-chloro-1-[3-(diethylamino)propyl]-5-(2-fluorophenyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CAS Name: 7-chloro-1-[3-(diethylamino)propyl]-5-(2-fluorophenyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-chloro-1-[3-(diethylamino)propyl]-5-(2-fluorophenyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-1-[3-(diethylamino)propyl]-5-(2-fluorophenyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C22H27ClFN3O
MOLECULAR WEIGHT: 403.920683
SMILES: CCN(CC)CCCN1C(=O)CNC(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
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Product OPENEYE NAME: but-2-en-1-ol
CAS Name: 2-buten-1-ol
IUPAC NAME: but-2-en-1-ol
SYSTEMATIC NAME: but-2-en-1-ol
MOLECULAR FORMULA: C4H8O
MOLECULAR WEIGHT: 72.10572
SMILES: CC=CCO
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Product OPENEYE NAME: N-phenyl-N-vinyl-acetamide
CAS Name: N-ethenyl-N-phenylacetamide
IUPAC NAME: N-ethenyl-N-phenylacetamide
SYSTEMATIC NAME: N-ethenyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: CC(=O)N(C=C)C1=CC=CC=C1
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Product OPENEYE NAME: 3-chlorobutan-2-one
CAS Name: 3-chloro-2-butanone
IUPAC NAME: 3-chlorobutan-2-one
SYSTEMATIC NAME: 3-chloranylbutan-2-one
MOLECULAR FORMULA: C4H7ClO
MOLECULAR WEIGHT: 106.55078
SMILES: CC(C(=O)C)Cl
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Product OPENEYE NAME: O-butyl butoxycarbothioylsulfanylmethanethioate
CAS Name: [[butoxy(sulfanylidene)methyl]thio]methanethioic acid O-butyl ester
IUPAC NAME: O-butyl butoxycarbothioylsulfanylmethanethioate
SYSTEMATIC NAME: O-butyl butoxycarbothioylsulfanylmethanethioate
MOLECULAR FORMULA: C10H18O2S3
MOLECULAR WEIGHT: 266.44372
SMILES: CCCCOC(=S)SC(=S)OCCCC
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Product OPENEYE NAME: 2-benzamido-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
CAS Name: 2-benzamido-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
IUPAC NAME: 2-benzamido-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
SYSTEMATIC NAME: 2-benzamido-3-[4-[bis(2-fluoranylethyl)amino]phenyl]propanoic acid
MOLECULAR FORMULA: C20H22F2N2O3
MOLECULAR WEIGHT: 376.397086
SMILES: C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)N(CCF)CCF)C(=O)O
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Product OPENEYE NAME: 4-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]butanoic acid
CAS Name: 4-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]butanoic acid
IUPAC NAME: 4-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]butanoic acid
SYSTEMATIC NAME: 4-[4-[2-chloroethyl(2-fluoranylethyl)amino]phenyl]butanoic acid
MOLECULAR FORMULA: C14H19ClFNO2
MOLECULAR WEIGHT: 287.757563
SMILES: C1=CC(=CC=C1CCCC(=O)O)N(CCF)CCCl
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Product OPENEYE NAME: 4-[4-[bis(2-fluoroethyl)amino]phenyl]butanoic acid
CAS Name: 4-[4-[bis(2-fluoroethyl)amino]phenyl]butanoic acid
IUPAC NAME: 4-[4-[bis(2-fluoroethyl)amino]phenyl]butanoic acid
SYSTEMATIC NAME: 4-[4-[bis(2-fluoranylethyl)amino]phenyl]butanoic acid
MOLECULAR FORMULA: C14H19F2NO2
MOLECULAR WEIGHT: 271.302966
SMILES: C1=CC(=CC=C1CCCC(=O)O)N(CCF)CCF
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Product OPENEYE NAME: 2-fluoroethyl-[4-(4-methoxy-4-oxo-butyl)phenyl]ammonium chloride
CAS Name: 2-fluoroethyl-[4-(4-methoxy-4-oxobutyl)phenyl]ammonium chloride
IUPAC NAME: 2-fluoroethyl-[4-(4-methoxy-4-oxobutyl)phenyl]azanium chloride
SYSTEMATIC NAME: 2-fluoranylethyl-[4-(4-methoxy-4-oxidanylidene-butyl)phenyl]azanium chloride
MOLECULAR FORMULA: C13H19ClFNO2
MOLECULAR WEIGHT: 275.746863
SMILES: COC(=O)CCCC1=CC=C(C=C1)[NH2+]CCF.[Cl-]
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Product OPENEYE NAME: methyl 4-[4-(2-fluoroethylamino)phenyl]butanoate
CAS Name: 4-[4-(2-fluoroethylamino)phenyl]butanoic acid methyl ester
IUPAC NAME: methyl 4-[4-(2-fluoroethylamino)phenyl]butanoate
SYSTEMATIC NAME: methyl 4-[4-(2-fluoranylethylamino)phenyl]butanoate
MOLECULAR FORMULA: C13H18FNO2
MOLECULAR WEIGHT: 239.285923
SMILES: COC(=O)CCCC1=CC=C(C=C1)NCCF
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Product OPENEYE NAME: 3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]prop-2-enoic acid
CAS Name: 3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]-2-propenoic acid
IUPAC NAME: 3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]prop-2-enoic acid
SYSTEMATIC NAME: 3-[4-[2-chloroethyl(2-fluoranylethyl)amino]phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C13H15ClFNO2
MOLECULAR WEIGHT: 271.715103
SMILES: C1=CC(=CC=C1C=CC(=O)O)N(CCF)CCCl
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