CAS RN: 152423-07-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H6N4OS
MOLECULAR WEIGHT: 206.22444
SMILES: CC1=CSC2=NC3=C(C=NN3)C(=O)N12
Structure:
CAS RN: 160816-78-4
CAS Name: 2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-pyridin-4-yl-2H-1,3,4-oxadiazole
OPENEYE Name: 2-(3-fluoro-4-methoxy-phenyl)-3-methyl-5-(4-pyridyl)-2H-1,3,4-oxadiazole
IUPAC Name: 2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-pyridin-4-yl-2H-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(3-fluoranyl-4-methoxy-phenyl)-3-methyl-5-pyridin-4-yl-2H-1,3,4-oxadiazole
MOLECULAR FORMULA: C15H14FN3O2
MOLECULAR WEIGHT: 287.288963
SMILES: CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)OC)F
Structure:
CAS RN: 6333-28-4
CAS Name: 2-[(dimethylamino)methyl]-6-(1-piperidinylmethyl)-1-cyclohexanone
OPENEYE Name: 2-[(dimethylamino)methyl]-6-(1-piperidylmethyl)cyclohexanone
IUPAC Name: 2-[(dimethylamino)methyl]-6-(piperidin-1-ylmethyl)cyclohexan-1-one
SYSTEMATIC NAME: 2-[(dimethylamino)methyl]-6-(piperidin-1-ylmethyl)cyclohexan-1-one
MOLECULAR FORMULA: C15H28N2O
MOLECULAR WEIGHT: 252.39562
SMILES: CN(C)CC1CCCC(C1=O)CN2CCCCC2
Structure:
CAS RN: 102831-44-7
CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(tert-butoxycarbonylamino)propanedioate
IUPAC Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
SYSTEMATIC NAME: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
MOLECULAR FORMULA: C12H21NO6
MOLECULAR WEIGHT: 275.29824
SMILES: CCOC(=O)C(C(=O)OCC)NC(=O)OC(C)(C)C
Structure:
CAS RN: 102916-66-5
CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(tert-butoxycarbonylamino)propanedioate
IUPAC Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
SYSTEMATIC NAME: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
MOLECULAR FORMULA: C12H21NO6
MOLECULAR WEIGHT: 275.29824
SMILES: CCOC(=O)C(C(=O)OCC)NC(=O)OC(C)(C)C
Structure:
CAS RN: 33987-33-6
CAS Name: [1-(triphenylmethyl)-4-imidazolyl]methanol
OPENEYE Name: (1-tritylimidazol-4-yl)methanol
IUPAC Name: (1-tritylimidazol-4-yl)methanol
SYSTEMATIC NAME: [1-(triphenylmethyl)imidazol-4-yl]methanol
MOLECULAR FORMULA: C23H20N2O
MOLECULAR WEIGHT: 340.4177
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CO
Structure:
CAS RN: 16205-84-8
CAS Name: 4-amino-7-chloro-3-cinnolinecarboxylic acid
OPENEYE Name: 4-amino-7-chloro-cinnoline-3-carboxylic acid
IUPAC Name: 4-amino-7-chlorocinnoline-3-carboxylic acid
SYSTEMATIC NAME: 4-azanyl-7-chloranyl-cinnoline-3-carboxylic acid
MOLECULAR FORMULA: C9H6ClN3O2
MOLECULAR WEIGHT: 223.61584
SMILES: C1=CC2=C(C=C1Cl)N=NC(=C2N)C(=O)O
Structure:
CAS RN: 6625-33-8
CAS Name: 1-(4-morpholinyl)-2-(2-phenyl-1-indolyl)ethanone
OPENEYE Name: 1-morpholino-2-(2-phenylindol-1-yl)ethanone
IUPAC Name: 1-morpholin-4-yl-2-(2-phenylindol-1-yl)ethanone
SYSTEMATIC NAME: 1-morpholin-4-yl-2-(2-phenylindol-1-yl)ethanone
MOLECULAR FORMULA: C20H20N2O2
MOLECULAR WEIGHT: 320.385
SMILES: C1COCCN1C(=O)CN2C3=CC=CC=C3C=C2C4=CC=CC=C4
Structure:
CAS RN: 103335-54-2
CAS Name: N,N-diethyl-2-(2-phenyl-1-indolyl)acetamide
OPENEYE Name: N,N-diethyl-2-(2-phenylindol-1-yl)acetamide
IUPAC Name: N,N-diethyl-2-(2-phenylindol-1-yl)acetamide
SYSTEMATIC NAME: N,N-diethyl-2-(2-phenylindol-1-yl)ethanamide
MOLECULAR FORMULA: C20H22N2O
MOLECULAR WEIGHT: 306.40148
SMILES: CCN(CC)C(=O)CN1C2=CC=CC=C2C=C1C3=CC=CC=C3
Structure:
CAS RN: 157027-31-1
CAS Name: 4-azido-2-chloro-3-quinolinecarbonitrile
OPENEYE Name: 4-azido-2-chloro-quinoline-3-carbonitrile
IUPAC Name: 4-azido-2-chloroquinoline-3-carbonitrile
SYSTEMATIC NAME: 4-azido-2-chloranyl-quinoline-3-carbonitrile
MOLECULAR FORMULA: C10H4ClN5
MOLECULAR WEIGHT: 229.62526
SMILES: C1=CC=C2C(=C1)C(=C(C(=N2)Cl)C#N)N=[N+]=[N-]
Structure:
CAS RN: 284678-29-1
CAS Name: 7-[[[4-[[(5-amino-2-methyl-3-pyrazolyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,3-disulfonic acid
OPENEYE Name: 7-[[4-[(5-amino-2-methyl-pyrazole-3-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid
IUPAC Name: 7-[[4-[(5-amino-2-methylpyrazole-3-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid
SYSTEMATIC NAME: 7-[[4-[(5-azanyl-2-methyl-pyrazol-3-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3-disulfonic acid
MOLECULAR FORMULA: C21H20N6O8S2
MOLECULAR WEIGHT: 548.5489
SMILES: CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=NN4C)N
Structure:
CAS RN: 146231-78-9
CAS Name: N-[6-[6-[8-(ethoxycarbonylamino)-6-phenanthridinyl]hexyl]-8-phenanthridinyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[6-[6-[8-(ethoxycarbonylamino)phenanthridin-6-yl]hexyl]phenanthridin-8-yl]carbamate
IUPAC Name: ethyl N-[6-[6-[8-(ethoxycarbonylamino)phenanthridin-6-yl]hexyl]phenanthridin-8-yl]carbamate
SYSTEMATIC NAME: ethyl N-[6-[6-[8-(ethoxycarbonylamino)phenanthridin-6-yl]hexyl]phenanthridin-8-yl]carbamate
MOLECULAR FORMULA: C38H38N4O4
MOLECULAR WEIGHT: 614.73272
SMILES: CCOC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3N=C2CCCCCCC4=NC5=CC=CC=C5C6=C4C=C(C=C6)NC(=O)OCC
Structure:
CAS RN: 61551-69-7
CAS Name: N-(2-hydroxyethyl)-2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]azo-2-methylpropanamide
OPENEYE Name: N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-1,1-dimethyl-2-oxo-ethyl]azo-2-methyl-propanamide
IUPAC Name: N-(2-hydroxyethyl)-2-[[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-2-[[1-(2-hydroxyethylamino)-2-methyl-1-oxidanylidene-propan-2-yl]diazenyl]-2-methyl-propanamide
MOLECULAR FORMULA: C12H24N4O4
MOLECULAR WEIGHT: 288.34336
SMILES: CC(C)(C(=O)NCCO)N=NC(C)(C)C(=O)NCCO
Structure:
CAS RN: 125692-96-8
CAS Name: N-(2-hydroxyethyl)-2-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]azo-2-methylpropanamide
OPENEYE Name: N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-1,1-dimethyl-2-oxo-ethyl]azo-2-methyl-propanamide
IUPAC Name: N-(2-hydroxyethyl)-2-[[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-2-[[1-(2-hydroxyethylamino)-2-methyl-1-oxidanylidene-propan-2-yl]diazenyl]-2-methyl-propanamide
MOLECULAR FORMULA: C12H24N4O4
MOLECULAR WEIGHT: 288.34336
SMILES: CC(C)(C(=O)NCCO)N=NC(C)(C)C(=O)NCCO
Structure:
CAS RN: 14333-33-6
CAS Name: (2S,3R)-2,3-bis[[(2R)-2-amino-2-carboxyethyl]disulfanyl]butanedioic acid hydrochloride
OPENEYE Name: (2S,3R)-2,3-bis[[(2R)-2-amino-2-carboxy-ethyl]disulfanyl]butanedioic acid hydrochloride
IUPAC Name: (2S,3R)-2,3-bis[[(2R)-2-amino-2-carboxyethyl]disulfanyl]butanedioic acid hydrochloride
SYSTEMATIC NAME: (2S,3R)-2,3-bis[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]butanedioic acid hydrochloride
MOLECULAR FORMULA: C10H17ClN2O8S4
MOLECULAR WEIGHT: 456.96358
SMILES: C([C@@H](C(=O)O)N)SS[C@H]([C@@H](C(=O)O)SSC[C@@H](C(=O)O)N)C(=O)O.Cl
Structure:
CAS RN: 142925-22-2
CAS Name: (2S,3R)-2,3-bis[[(2R)-2-amino-2-carboxyethyl]disulfanyl]butanedioic acid hydrochloride
OPENEYE Name: (2S,3R)-2,3-bis[[(2R)-2-amino-2-carboxy-ethyl]disulfanyl]butanedioic acid hydrochloride
IUPAC Name: (2S,3R)-2,3-bis[[(2R)-2-amino-2-carboxyethyl]disulfanyl]butanedioic acid hydrochloride
SYSTEMATIC NAME: (2S,3R)-2,3-bis[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]butanedioic acid hydrochloride
MOLECULAR FORMULA: C10H17ClN2O8S4
MOLECULAR WEIGHT: 456.96358
SMILES: C([C@@H](C(=O)O)N)SS[C@H]([C@@H](C(=O)O)SSC[C@@H](C(=O)O)N)C(=O)O.Cl
Structure:
CAS RN: 52094-92-5
CAS Name: 2-phenoxypropanehydrazide
OPENEYE Name: 2-phenoxypropanehydrazide
IUPAC Name: 2-phenoxypropanehydrazide
SYSTEMATIC NAME: 2-phenoxypropanehydrazide
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: CC(C(=O)NN)OC1=CC=CC=C1
Structure:
CAS RN: 15740-92-8
CAS Name: (3S)-3,8,9-trihydroxy-3-methyl-7-[(2R)-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-2,4-dihydroanthracen-1-one
OPENEYE Name: (3S)-3,8,9-trihydroxy-3-methyl-7-[(2R)-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-2,4-dihydroanthracen-1-one
IUPAC Name: (3S)-3,8,9-trihydroxy-3-methyl-7-[(2R)-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-2,4-dihydroanthracen-1-one
SYSTEMATIC NAME: (3S)-3-methyl-7-[(2R)-2-methyl-2,5,10-tris(oxidanyl)-4-oxidanylidene-1,3-dihydroanthracen-9-yl]-3,8,9-tris(oxidanyl)-2,4-dihydroanthracen-1-one
MOLECULAR FORMULA: C30H26O8
MOLECULAR WEIGHT: 514.52264
SMILES: C[C@@]1(CC2=C(C(=O)C1)C(=C3C(=C2)C=CC(=C3O)C4=C5C[C@@](CC(=O)C5=C(C6=C4C=CC=C6O)O)(C)O)O)O
Structure:
CAS RN: 491-09-8
CAS Name: 3-methyl-6-propan-2-ylidene-1-cyclohex-2-enone
OPENEYE Name: 6-isopropylidene-3-methyl-cyclohex-2-en-1-one
IUPAC Name: 3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one
SYSTEMATIC NAME: 3-methyl-6-propan-2-ylidene-cyclohex-2-en-1-one
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC1=CC(=O)C(=C(C)C)CC1
Structure:
CAS RN: 184900-61-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H22O5
MOLECULAR WEIGHT: 426.46058
SMILES: COC1=CC2=C(C=C1)[C@@H]3[C@H](CO2)C4=CC(=C5C(=C4O3)C=CC=C5OCC6=CC=CC=C6)O
Structure:
CAS RN: 184900-60-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H18O5
MOLECULAR WEIGHT: 350.36462
SMILES: COC1=CC2=C(C=C1)[C@@H]3[C@H](CO2)C4=CC(=C5C(=C4O3)C=CC=C5OC)O
Structure:
CAS RN: 146764-79-6
CAS Name: 2-methyl-6,7-bis(methylthio)isoquinoline-3,5,8-trione
OPENEYE Name: 2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione
IUPAC Name: 2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione
SYSTEMATIC NAME: 2-methyl-6,7-bis(methylsulfanyl)isoquinoline-3,5,8-trione
MOLECULAR FORMULA: C12H11NO3S2
MOLECULAR WEIGHT: 281.35064
SMILES: CN1C=C2C(=CC1=O)C(=O)C(=C(C2=O)SC)SC
Structure:
CAS RN: 1483-74-5
CAS Name: 1,1,4,4-tetraphenyl-2-butyne-1,4-diol
OPENEYE Name: 1,1,4,4-tetraphenylbut-2-yne-1,4-diol
IUPAC Name: 1,1,4,4-tetraphenylbut-2-yne-1,4-diol
SYSTEMATIC NAME: 1,1,4,4-tetraphenylbut-2-yne-1,4-diol
MOLECULAR FORMULA: C28H22O2
MOLECULAR WEIGHT: 390.47308
SMILES: C1=CC=C(C=C1)C(C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)(C4=CC=CC=C4)O
Structure:
CAS RN: 14894-54-3
CAS Name: 1,1,4,4-tetraphenyl-2-butyne-1,4-diol
OPENEYE Name: 1,1,4,4-tetraphenylbut-2-yne-1,4-diol
IUPAC Name: 1,1,4,4-tetraphenylbut-2-yne-1,4-diol
SYSTEMATIC NAME: 1,1,4,4-tetraphenylbut-2-yne-1,4-diol
MOLECULAR FORMULA: C28H22O2
MOLECULAR WEIGHT: 390.47308
SMILES: C1=CC=C(C=C1)C(C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)(C4=CC=CC=C4)O
Structure:
CAS RN: 85335-07-5
CAS Name: 4-[(2,4-dinitrophenyl)thio]-5,5-dimethyl-2-phenyl-1,2$l^{5}-oxaphosphole 2-oxide
OPENEYE Name: 4-(2,4-dinitrophenyl)sulfanyl-5,5-dimethyl-2-phenyl-1,2$l^{5}-oxaphosphole 2-oxide
IUPAC Name: 4-(2,4-dinitrophenyl)sulfanyl-5,5-dimethyl-2-phenyl-1,2$l^{5}-oxaphosphole 2-oxide
SYSTEMATIC NAME: 4-(2,4-dinitrophenyl)sulfanyl-5,5-dimethyl-2-phenyl-1,2$l^{5}-oxaphosphole 2-oxide
MOLECULAR FORMULA: C17H15N2O6PS
MOLECULAR WEIGHT: 406.349561
SMILES: CC1(C(=CP(=O)(O1)C2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C
Structure:
CAS RN: 169232-18-2
CAS Name: 6,7-dihydroxy-2-naphthalenecarboxylic acid 2-phenylethyl ester
OPENEYE Name: 2-phenylethyl 6,7-dihydroxynaphthalene-2-carboxylate
IUPAC Name: 2-phenylethyl 6,7-dihydroxynaphthalene-2-carboxylate
SYSTEMATIC NAME: 2-phenylethyl 6,7-bis(oxidanyl)naphthalene-2-carboxylate
MOLECULAR FORMULA: C19H16O4
MOLECULAR WEIGHT: 308.32794
SMILES: C1=CC=C(C=C1)CCOC(=O)C2=CC3=CC(=C(C=C3C=C2)O)O
Structure:
CAS RN: 76910-23-1
CAS Name: cyclopropane-1,1,2,2-tetracarboxylic acid
OPENEYE Name: cyclopropane-1,1,2,2-tetracarboxylic acid
IUPAC Name: cyclopropane-1,1,2,2-tetracarboxylic acid
SYSTEMATIC NAME: cyclopropane-1,1,2,2-tetracarboxylic acid
MOLECULAR FORMULA: C7H6O8
MOLECULAR WEIGHT: 218.11774
SMILES: C1C(C1(C(=O)O)C(=O)O)(C(=O)O)C(=O)O
Structure:
CAS RN: 70748-53-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: C1C2C3C2C(=O)C1C3C(=O)O
Structure:
CAS RN: 102571-07-3
CAS Name: 2-(1-cyclopentenyl)-2-hydroxy-3-pentynoic acid (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) ester
OPENEYE Name: (2-methylquinuclidin-3-yl) 2-(cyclopenten-1-yl)-2-hydroxy-pent-3-ynoate
IUPAC Name: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-(cyclopenten-1-yl)-2-hydroxypent-3-ynoate
SYSTEMATIC NAME: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-(cyclopenten-1-yl)-2-oxidanyl-pent-3-ynoate
MOLECULAR FORMULA: C18H25NO3
MOLECULAR WEIGHT: 303.396
SMILES: CC#CC(C1=CCCC1)(C(=O)OC2C(N3CCC2CC3)C)O
Structure:
CAS RN: 102206-64-4
CAS Name: 2-hydroxy-2-(2-pyridinyl)-3-pentynoic acid (1-methyl-4-piperidinyl) ester
OPENEYE Name: (1-methyl-4-piperidyl) 2-hydroxy-2-(2-pyridyl)pent-3-ynoate
IUPAC Name: (1-methylpiperidin-4-yl) 2-hydroxy-2-pyridin-2-ylpent-3-ynoate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 2-oxidanyl-2-pyridin-2-yl-pent-3-ynoate
MOLECULAR FORMULA: C16H20N2O3
MOLECULAR WEIGHT: 288.3416
SMILES: CC#CC(C1=CC=CC=N1)(C(=O)OC2CCN(CC2)C)O
Structure:
CAS RN: 102395-20-0
CAS Name: N,N-diethyl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide hydrochloride
OPENEYE Name: N,N-diethyl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide hydrochloride
IUPAC Name: N,N-diethyl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide hydrochloride
SYSTEMATIC NAME: N,N-diethyl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide hydrochloride
MOLECULAR FORMULA: C30H40ClFN4O4
MOLECULAR WEIGHT: 575.114403
SMILES: CCN(CC)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl
Structure:
CAS RN: 102517-24-8
CAS Name: 2-butan-2-yl-8-[3-[(4-fluorophenyl)thio]propyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
OPENEYE Name: 8-[3-(4-fluorophenyl)sulfanylpropyl]-4-phenyl-2-sec-butyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
IUPAC Name: 2-butan-2-yl-8-[3-(4-fluorophenyl)sulfanylpropyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
SYSTEMATIC NAME: 2-butan-2-yl-8-[3-(4-fluorophenyl)sulfanylpropyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
MOLECULAR FORMULA: C26H35ClFN3OS
MOLECULAR WEIGHT: 492.092003
SMILES: CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=C(C=C3)F)C4=CC=CC=C4.Cl
Structure:
CAS RN: 102395-46-0
CAS Name: 2-butan-2-yl-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
OPENEYE Name: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenyl-2-sec-butyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
IUPAC Name: 2-butan-2-yl-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
SYSTEMATIC NAME: 2-butan-2-yl-8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
MOLECULAR FORMULA: C26H34ClN3O3
MOLECULAR WEIGHT: 472.01946
SMILES: CCC(C)N1CN(C2(C1=O)CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5.Cl
Structure:
CAS RN: 102504-80-3
CAS Name: 8-(6-fluorohexyl)-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
OPENEYE Name: 8-(6-fluorohexyl)-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
IUPAC Name: 8-(6-fluorohexyl)-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
SYSTEMATIC NAME: 8-(6-fluoranylhexyl)-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
MOLECULAR FORMULA: C20H31ClFN3O
MOLECULAR WEIGHT: 383.931043
SMILES: CN1CN(C2(C1=O)CCN(CC2)CCCCCCF)C3=CC=CC=C3.Cl
Structure:
CAS RN: 102504-72-3
CAS Name: 2-ethyl-8-[3-[(4-fluorophenyl)thio]propyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
OPENEYE Name: 2-ethyl-8-[3-(4-fluorophenyl)sulfanylpropyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
IUPAC Name: 2-ethyl-8-[3-(4-fluorophenyl)sulfanylpropyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
SYSTEMATIC NAME: 2-ethyl-8-[3-(4-fluorophenyl)sulfanylpropyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one hydrochloride
MOLECULAR FORMULA: C24H31ClFN3OS
MOLECULAR WEIGHT: 464.038843
SMILES: CCN1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=C(C=C3)F)C4=CC=CC=C4.Cl
Structure:
CAS RN: 101725-90-0
CAS Name: 3-(dimethylamino)-8-[4-(4-fluorophenyl)-4-oxobutyl]-3,8-diazaspiro[4.5]decane-2,4-dione
OPENEYE Name: 3-(dimethylamino)-8-[4-(4-fluorophenyl)-4-oxo-butyl]-3,8-diazaspiro[4.5]decane-2,4-dione
IUPAC Name: 3-(dimethylamino)-8-[4-(4-fluorophenyl)-4-oxobutyl]-3,8-diazaspiro[4.5]decane-2,4-dione
SYSTEMATIC NAME: 3-(dimethylamino)-8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-3,8-diazaspiro[4.5]decane-2,4-dione
MOLECULAR FORMULA: C20H26FN3O3
MOLECULAR WEIGHT: 375.437143
SMILES: CN(C)N1C(=O)CC2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
Structure:
CAS RN: 102395-47-1
CAS Name: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-ethyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
OPENEYE Name: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-ethyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
IUPAC Name: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-ethyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
SYSTEMATIC NAME: 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-ethyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
MOLECULAR FORMULA: C24H29N3O3
MOLECULAR WEIGHT: 407.50536
SMILES: CCN1CN(C2(C1=O)CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5
Structure:
CAS RN: 102504-25-6
CAS Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,2-dimethyl-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride
OPENEYE Name: 8-[4-(4-fluorophenyl)-4-oxo-butyl]-1,2-dimethyl-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride
IUPAC Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-1,2-dimethyl-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride
SYSTEMATIC NAME: 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1,2-dimethyl-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride
MOLECULAR FORMULA: C19H26ClFN2O3
MOLECULAR WEIGHT: 384.872743
SMILES: CC1C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)OC(=O)N1C.Cl
Structure:
CAS RN: 102395-49-3
CAS Name: 8-(1,3-benzothiazol-2-ylmethyl)-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
OPENEYE Name: 8-(1,3-benzothiazol-2-ylmethyl)-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
IUPAC Name: 8-(1,3-benzothiazol-2-ylmethyl)-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
SYSTEMATIC NAME: 8-(1,3-benzothiazol-2-ylmethyl)-2-methyl-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
MOLECULAR FORMULA: C22H24N4OS
MOLECULAR WEIGHT: 392.51716
SMILES: CN1CN(C2(C1=O)CCN(CC2)CC3=NC4=CC=CC=C4S3)C5=CC=CC=C5
Structure:
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