CAS RN: 20776-45-8
CAS Name: 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine hydrochloride
OPENEYE Name: 2-(5-benzyloxy-1H-indol-3-yl)ethanamine hydrochloride
IUPAC Name: 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine hydrochloride
MOLECULAR FORMULA: C17H19ClN2O
MOLECULAR WEIGHT: 302.79856
SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN.Cl
Structure:
CAS RN: 5119-37-9
CAS Name: N3,N3,N7,N7,N11,N11,3,7,11-nonamethyl-1,2,5,6,9,10-hexathiacyclododecane-3,7,11-tricarboxamide
OPENEYE Name: N3,N3,N7,N7,N11,N11,3,7,11-nonamethyl-1,2,5,6,9,10-hexathiacyclododecane-3,7,11-tricarboxamide
IUPAC Name: 3-N,3-N,7-N,7-N,11-N,11-N,3,7,11-nonamethyl-1,2,5,6,9,10-hexathiacyclododecane-3,7,11-tricarboxamide
SYSTEMATIC NAME: N3,N3,N7,N7,N11,N11,3,7,11-nonamethyl-1,2,5,6,9,10-hexathiacyclododecane-3,7,11-tricarboxamide
MOLECULAR FORMULA: C18H33N3O3S6
MOLECULAR WEIGHT: 531.86292
SMILES: CC1(CSSC(CSSC(CSS1)(C)C(=O)N(C)C)(C)C(=O)N(C)C)C(=O)N(C)C
Structure:
CAS RN: 85980-47-8
CAS Name: ethanethioic acid S-[2-methyl-3-oxo-3-[(phenylmethyl)amino]propyl] ester
OPENEYE Name: S-[3-(benzylamino)-2-methyl-3-oxo-propyl] ethanethioate
IUPAC Name: S-[3-(benzylamino)-2-methyl-3-oxopropyl] ethanethioate
SYSTEMATIC NAME: S-[2-methyl-3-oxidanylidene-3-[(phenylmethyl)amino]propyl] ethanethioate
MOLECULAR FORMULA: C13H17NO2S
MOLECULAR WEIGHT: 251.34458
SMILES: CC(CSC(=O)C)C(=O)NCC1=CC=CC=C1
Structure:
CAS RN: 109795-70-2
CAS Name: N-(3,3-dimethyl-5-oxo-4-dithiolanyl)benzamide
OPENEYE Name: N-(3,3-dimethyl-5-oxo-dithiolan-4-yl)benzamide
IUPAC Name: N-(3,3-dimethyl-5-oxodithiolan-4-yl)benzamide
SYSTEMATIC NAME: N-(3,3-dimethyl-5-oxidanylidene-1,2-dithiolan-4-yl)benzamide
MOLECULAR FORMULA: C12H13NO2S2
MOLECULAR WEIGHT: 267.36712
SMILES: CC1(C(C(=O)SS1)NC(=O)C2=CC=CC=C2)C
Structure:
CAS RN: 5119-34-6
CAS Name: 2-(2-thiiranylmethyl)isoindole-1,3-dione
OPENEYE Name: 2-(thiiran-2-ylmethyl)isoindoline-1,3-dione
IUPAC Name: 2-(thiiran-2-ylmethyl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(thiiran-2-ylmethyl)isoindole-1,3-dione
MOLECULAR FORMULA: C11H9NO2S
MOLECULAR WEIGHT: 219.25966
SMILES: C1C(S1)CN2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 5118-77-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H21N3O4S
MOLECULAR WEIGHT: 423.48484
SMILES: CN1C(=O)C2CC3=C(C(N2C1=S)C4=CC(=C(C(=C4)OC)O)OC)NC5=CC=CC=C35
Structure:
CAS RN: 5118-60-5
CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
OPENEYE Name: 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
IUPAC Name: 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)OC)C(=O)C1)C
Structure:
CAS RN: 5118-42-3
CAS Name: 1-[4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
OPENEYE Name: 1-[4-(2-hydroxy-5-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
IUPAC Name: 1-[4-(2-hydroxy-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
SYSTEMATIC NAME: 1-[6-methyl-4-(5-nitro-2-oxidanyl-phenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
MOLECULAR FORMULA: C13H13N3O4S
MOLECULAR WEIGHT: 307.32502
SMILES: CC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)C
Structure:
CAS RN: 71621-70-0
CAS Name: acetic acid 4,6,6-trimethylheptan-2-yl ester
OPENEYE Name: 1,3,5,5-tetramethylhexyl acetate
IUPAC Name: 4,6,6-trimethylheptan-2-yl acetate
SYSTEMATIC NAME: 4,6,6-trimethylheptan-2-yl ethanoate
MOLECULAR FORMULA: C12H24O2
MOLECULAR WEIGHT: 200.31776
SMILES: CC(CC(C)OC(=O)C)CC(C)(C)C
Structure:
CAS RN: 5116-21-2
CAS Name: 2-diphenylphosphorylaniline
OPENEYE Name: 2-diphenylphosphorylaniline
IUPAC Name: 2-diphenylphosphorylaniline
SYSTEMATIC NAME: 2-diphenylphosphorylaniline
MOLECULAR FORMULA: C18H16NOP
MOLECULAR WEIGHT: 293.299501
SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3N
Structure:
CAS RN: 5116-01-8
CAS Name: [4-bis(phenylmethyl)phosphorylbutyl-(phenylmethyl)phosphoryl]methylbenzene
OPENEYE Name: [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene
IUPAC Name: [benzyl(4-dibenzylphosphorylbutyl)phosphoryl]methylbenzene
SYSTEMATIC NAME: [4-bis(phenylmethyl)phosphorylbutyl-(phenylmethyl)phosphoryl]methylbenzene
MOLECULAR FORMULA: C32H36O2P2
MOLECULAR WEIGHT: 514.574562
SMILES: C1=CC=C(C=C1)CP(=O)(CCCCP(=O)(CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4
Structure:
CAS RN: 4311-88-0
CAS Name: 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C13H13N3OS
MOLECULAR WEIGHT: 259.32682
SMILES: CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32
Structure:
CAS RN: 5114-95-4
CAS Name: N-decyl-4-hydroxynonanamide
OPENEYE Name: N-decyl-4-hydroxy-nonanamide
IUPAC Name: N-decyl-4-hydroxynonanamide
SYSTEMATIC NAME: N-decyl-4-oxidanyl-nonanamide
MOLECULAR FORMULA: C19H39NO2
MOLECULAR WEIGHT: 313.51846
SMILES: CCCCCCCCCCNC(=O)CCC(CCCCC)O
Structure:
CAS RN: 31356-29-3
CAS Name: 2-(2,4-dinitroanilino)butanoic acid
OPENEYE Name: 2-(2,4-dinitroanilino)butanoic acid
IUPAC Name: 2-(2,4-dinitroanilino)butanoic acid
SYSTEMATIC NAME: 2-[(2,4-dinitrophenyl)amino]butanoic acid
MOLECULAR FORMULA: C10H11N3O6
MOLECULAR WEIGHT: 269.21084
SMILES: CCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 159553-28-3
CAS Name: spiro[adamantane-2,2'-thiazolidine] hydrochloride
OPENEYE Name: spiro[adamantane-2,2'-thiazolidine] hydrochloride
IUPAC Name: spiro[1,3-thiazolidine-2,2'-adamantane] hydrochloride
SYSTEMATIC NAME: spiro[1,3-thiazolidine-2,2'-adamantane] hydrochloride
MOLECULAR FORMULA: C12H20ClNS
MOLECULAR WEIGHT: 245.8119
SMILES: C1CSC2(N1)C3CC4CC(C3)CC2C4.Cl
Structure:
CAS RN: 81190-89-8
CAS Name: 4-bromo-1H-pyrazole-5-carboxylic acid methyl ester
OPENEYE Name: methyl 4-bromo-1H-pyrazole-5-carboxylate
IUPAC Name: methyl 4-bromo-1H-pyrazole-5-carboxylate
SYSTEMATIC NAME: methyl 4-bromanyl-1H-pyrazole-5-carboxylate
MOLECULAR FORMULA: C5H5BrN2O2
MOLECULAR WEIGHT: 205.0094
SMILES: COC(=O)C1=C(C=NN1)Br
Structure:
CAS RN: 64170-55-4
CAS Name: 4-(5-methyl-1-tetrazolyl)aniline
OPENEYE Name: 4-(5-methyltetrazol-1-yl)aniline
IUPAC Name: 4-(5-methyltetrazol-1-yl)aniline
SYSTEMATIC NAME: 4-(5-methyl-1,2,3,4-tetrazol-1-yl)aniline
MOLECULAR FORMULA: C8H9N5
MOLECULAR WEIGHT: 175.19056
SMILES: CC1=NN=NN1C2=CC=C(C=C2)N
Structure:
CAS RN: 143579-13-9
CAS Name: N-(2-methylphenyl)-2-(4-morpholinyl)acetamide hydrochloride
OPENEYE Name: 2-morpholino-N-(o-tolyl)acetamide hydrochloride
IUPAC Name: N-(2-methylphenyl)-2-morpholin-4-ylacetamide hydrochloride
SYSTEMATIC NAME: N-(2-methylphenyl)-2-morpholin-4-yl-ethanamide hydrochloride
MOLECULAR FORMULA: C13H19ClN2O2
MOLECULAR WEIGHT: 270.75516
SMILES: CC1=CC=CC=C1NC(=O)CN2CCOCC2.Cl
Structure:
CAS RN: 118564-52-6
CAS Name: 2-(1-azepanyl)-N-(2,4,6-trimethylphenyl)propanamide
OPENEYE Name: 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
IUPAC Name: 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SYSTEMATIC NAME: 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
MOLECULAR FORMULA: C18H28N2O
MOLECULAR WEIGHT: 288.42772
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)C(C)N2CCCCCC2)C
Structure:
CAS RN: 118564-56-0
CAS Name: 2-(1-azepanyl)-N-(2,4,6-trimethylphenyl)butanamide
OPENEYE Name: 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
IUPAC Name: 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
SYSTEMATIC NAME: 2-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
MOLECULAR FORMULA: C19H30N2O
MOLECULAR WEIGHT: 302.4543
SMILES: CCC(C(=O)NC1=C(C=C(C=C1C)C)C)N2CCCCCC2
Structure:
CAS RN: 121513-25-5
CAS Name: 2-(tert-butylamino)-N-(2,4,6-trimethylphenyl)acetamide hydrochloride
OPENEYE Name: 2-(tert-butylamino)-N-(2,4,6-trimethylphenyl)acetamide hydrochloride
IUPAC Name: 2-(tert-butylamino)-N-(2,4,6-trimethylphenyl)acetamide hydrochloride
SYSTEMATIC NAME: 2-(tert-butylamino)-N-(2,4,6-trimethylphenyl)ethanamide hydrochloride
MOLECULAR FORMULA: C15H25ClN2O
MOLECULAR WEIGHT: 284.8248
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CNC(C)(C)C)C.Cl
Structure:
CAS RN: 5110-23-6
CAS Name: 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium perchlorate
OPENEYE Name: 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium perchlorate
IUPAC Name: 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium perchlorate
SYSTEMATIC NAME: 2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium perchlorate
MOLECULAR FORMULA: C11H13ClN2O4
MOLECULAR WEIGHT: 272.68492
SMILES: CC1=C[N+]2=C(C=C(N=C2C=C1)C)C.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 125103-41-5
CAS Name: (1,3-diphenyl-4-pyrazolyl)-[4-(phenylmethyl)-1-piperazinyl]methanone hydrochloride
OPENEYE Name: (4-benzylpiperazin-1-yl)-(1,3-diphenylpyrazol-4-yl)methanone hydrochloride
IUPAC Name: (4-benzylpiperazin-1-yl)-(1,3-diphenylpyrazol-4-yl)methanone hydrochloride
SYSTEMATIC NAME: (1,3-diphenylpyrazol-4-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone hydrochloride
MOLECULAR FORMULA: C27H27ClN4O
MOLECULAR WEIGHT: 458.98248
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5.Cl
Structure:
CAS RN: 5109-75-1
CAS Name: 1-butan-2-yl-3-cyclohexylimidazolidine-2,4,5-trione
OPENEYE Name: 1-cyclohexyl-3-sec-butyl-imidazolidine-2,4,5-trione
IUPAC Name: 1-butan-2-yl-3-cyclohexylimidazolidine-2,4,5-trione
SYSTEMATIC NAME: 1-butan-2-yl-3-cyclohexyl-imidazolidine-2,4,5-trione
MOLECULAR FORMULA: C13H20N2O3
MOLECULAR WEIGHT: 252.3095
SMILES: CCC(C)N1C(=O)C(=O)N(C1=O)C2CCCCC2
Structure:
CAS RN: 5109-53-5
CAS Name: 1-butan-2-yl-3-(3-chlorophenyl)urea
OPENEYE Name: 1-(3-chlorophenyl)-3-sec-butyl-urea
IUPAC Name: 1-butan-2-yl-3-(3-chlorophenyl)urea
SYSTEMATIC NAME: 1-butan-2-yl-3-(3-chlorophenyl)urea
MOLECULAR FORMULA: C11H15ClN2O
MOLECULAR WEIGHT: 226.7026
SMILES: CCC(C)NC(=O)NC1=CC(=CC=C1)Cl
Structure:
CAS RN: 870-51-9
CAS Name: 2-(2,2,3,3-tetrafluoropropoxy)acetic acid
OPENEYE Name: 2-(2,2,3,3-tetrafluoropropoxy)acetic acid
IUPAC Name: 2-(2,2,3,3-tetrafluoropropoxy)acetic acid
SYSTEMATIC NAME: 2-[2,2,3,3-tetrakis(fluoranyl)propoxy]ethanoic acid
MOLECULAR FORMULA: C5H6F4O3
MOLECULAR WEIGHT: 190.092953
SMILES: C(C(=O)O)OCC(C(F)F)(F)F
Structure:
CAS RN: 5705-10-2
CAS Name: 1-(4-methoxyphenyl)-1-(phenylmethyl)hydrazine hydrochloride
OPENEYE Name: 1-benzyl-1-(4-methoxyphenyl)hydrazine hydrochloride
IUPAC Name: 1-benzyl-1-(4-methoxyphenyl)hydrazine hydrochloride
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-1-(phenylmethyl)diazane hydrochloride
MOLECULAR FORMULA: C14H17ClN2O
MOLECULAR WEIGHT: 264.75058
SMILES: COC1=CC=C(C=C1)N(CC2=CC=CC=C2)N.Cl
Structure:
CAS RN: 117043-32-0
CAS Name: 2-(2-pyridinylamino)ethanol hydrochloride
OPENEYE Name: 2-(2-pyridylamino)ethanol hydrochloride
IUPAC Name: 2-(pyridin-2-ylamino)ethanol hydrochloride
SYSTEMATIC NAME: 2-(pyridin-2-ylamino)ethanol hydrochloride
MOLECULAR FORMULA: C7H11ClN2O
MOLECULAR WEIGHT: 174.62804
SMILES: C1=CC=NC(=C1)NCCO.Cl
Structure:
CAS RN: 5107-47-1
CAS Name: 4-(3-bromophenyl)-2-(2,2-dichloroethenyl)-4-hydroxy-6-oxo-1-cyclohexanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(3-bromophenyl)-2-(2,2-dichlorovinyl)-4-hydroxy-6-oxo-cyclohexanecarboxylate
IUPAC Name: ethyl 4-(3-bromophenyl)-2-(2,2-dichloroethenyl)-4-hydroxy-6-oxocyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 2-[2,2-bis(chloranyl)ethenyl]-4-(3-bromophenyl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C17H17BrCl2O4
MOLECULAR WEIGHT: 436.12448
SMILES: CCOC(=O)C1C(CC(CC1=O)(C2=CC(=CC=C2)Br)O)C=C(Cl)Cl
Structure:
CAS RN: 942-26-7
CAS Name: 2-(5-chloro-1H-indol-3-yl)ethanamine hydrochloride
OPENEYE Name: 2-(5-chloro-1H-indol-3-yl)ethanamine hydrochloride
IUPAC Name: 2-(5-chloro-1H-indol-3-yl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(5-chloranyl-1H-indol-3-yl)ethanamine hydrochloride
MOLECULAR FORMULA: C10H12Cl2N2
MOLECULAR WEIGHT: 231.12168
SMILES: C1=CC2=C(C=C1Cl)C(=CN2)CCN.Cl
Structure:
CAS RN: 55747-73-4
CAS Name: 2-(5-chloro-1H-indol-3-yl)ethanamine hydrochloride
OPENEYE Name: 2-(5-chloro-1H-indol-3-yl)ethanamine hydrochloride
IUPAC Name: 2-(5-chloro-1H-indol-3-yl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(5-chloranyl-1H-indol-3-yl)ethanamine hydrochloride
MOLECULAR FORMULA: C10H12Cl2N2
MOLECULAR WEIGHT: 231.12168
SMILES: C1=CC2=C(C=C1Cl)C(=CN2)CCN.Cl
Structure:
CAS RN: 94850-28-9
CAS Name: 2-(5,7-dichloro-1H-indol-3-yl)ethanamine hydrochloride
OPENEYE Name: 2-(5,7-dichloro-1H-indol-3-yl)ethanamine hydrochloride
IUPAC Name: 2-(5,7-dichloro-1H-indol-3-yl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-[5,7-bis(chloranyl)-1H-indol-3-yl]ethanamine hydrochloride
MOLECULAR FORMULA: C10H11Cl3N2
MOLECULAR WEIGHT: 265.56674
SMILES: C1=C(C=C2C(=CNC2=C1Cl)CCN)Cl.Cl
Structure:
CAS RN: 5106-71-8
CAS Name: 4-amino-2-[[2-furanyl(oxo)methyl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-amino-2-(furan-2-carbonylamino)-4-oxo-butanoic acid
IUPAC Name: 4-amino-2-(furan-2-carbonylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-azanyl-2-(furan-2-ylcarbonylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C9H10N2O5
MOLECULAR WEIGHT: 226.1861
SMILES: C1=COC(=C1)C(=O)NC(CC(=O)N)C(=O)O
Structure:
CAS RN: 5105-26-0
CAS Name: 2-[(3,4-dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
OPENEYE Name: 2-[(3,4-dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione
IUPAC Name: 2-[(3,4-dimethoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[(3,4-dimethoxyphenyl)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione
MOLECULAR FORMULA: C25H32O6
MOLECULAR WEIGHT: 428.51798
SMILES: CC1(CC(=O)C(C(=O)C1)C(C2=CC(=C(C=C2)OC)OC)C3=C(CC(CC3=O)(C)C)O)C
Structure:
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