CAS RN: 5521-33-5
CAS Name: 2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)-N-propan-2-ylacetamide
OPENEYE Name: N-benzyl-2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide
IUPAC Name: N-benzyl-2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C24H30ClN5OS
MOLECULAR WEIGHT: 472.0459
SMILES: CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C(C)N(C)C
Structure:
CAS RN: 6743-09-5
CAS Name: [2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-diethylammonium
OPENEYE Name: [2-(2-benzoyl-4-bromo-anilino)-2-oxo-ethyl]-diethyl-ammonium
IUPAC Name: [2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-diethylazanium
SYSTEMATIC NAME: [2-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-diethyl-azanium
MOLECULAR FORMULA: C19H22BrN2O2+
MOLECULAR WEIGHT: 390.29418
SMILES: CC[NH+](CC)CC(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 6727-85-1
CAS Name: 2-hydroxy-4-(2-oxo-1-pyrrolidinyl)benzoate
OPENEYE Name: 2-hydroxy-4-(2-oxopyrrolidin-1-yl)benzoate
IUPAC Name: 2-hydroxy-4-(2-oxopyrrolidin-1-yl)benzoate
SYSTEMATIC NAME: 2-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)benzoate
MOLECULAR FORMULA: C11H10NO4-
MOLECULAR WEIGHT: 220.2014
SMILES: C1CC(=O)N(C1)C2=CC(=C(C=C2)C(=O)[O-])O
Structure:
CAS RN: 304661-57-2
CAS Name: 2-[oxo-[(2-phenyl-3,4-dihydropyrazol-5-yl)amino]methyl]benzoate
OPENEYE Name: 2-[(2-phenyl-3,4-dihydropyrazol-5-yl)carbamoyl]benzoate
IUPAC Name: 2-[(2-phenyl-3,4-dihydropyrazol-5-yl)carbamoyl]benzoate
SYSTEMATIC NAME: 2-[(2-phenyl-3,4-dihydropyrazol-5-yl)carbamoyl]benzoate
MOLECULAR FORMULA: C17H14N3O3-
MOLECULAR WEIGHT: 308.31136
SMILES: C1CN(N=C1NC(=O)C2=CC=CC=C2C(=O)[O-])C3=CC=CC=C3
Structure:
CAS RN: 5992-66-5
CAS Name: N-[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide
OPENEYE Name: N-[1-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]cyclopentanecarboxamide
IUPAC Name: N-[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide
SYSTEMATIC NAME: N-[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]cyclopentanecarboxamide
MOLECULAR FORMULA: C23H23FN4O2S
MOLECULAR WEIGHT: 438.517723
SMILES: C1CCC(C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)F
Structure:
CAS RN: 6381-66-4
CAS Name: 4-nitrobenzoic acid 1H-benzimidazol-2-ylmethyl ester
OPENEYE Name: 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate
IUPAC Name: 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate
SYSTEMATIC NAME: 1H-benzimidazol-2-ylmethyl 4-nitrobenzoate
MOLECULAR FORMULA: C15H11N3O4
MOLECULAR WEIGHT: 297.26554
SMILES: C1=CC=C2C(=C1)NC(=N2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 6644-69-5
CAS Name: N-[(4-ethylphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
OPENEYE Name: N-[(4-ethylphenyl)methyleneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
IUPAC Name: N-[(4-ethylphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
SYSTEMATIC NAME: N-[(4-ethylphenyl)methylideneamino]-3-(4-octoxyphenyl)-1H-pyrazole-5-carboxamide
MOLECULAR FORMULA: C27H34N4O2
MOLECULAR WEIGHT: 446.58446
SMILES: CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=C(C=C3)CC
Structure:
CAS RN: 6715-04-4
CAS Name: 4'-spiro[1-azoniabicyclo[2.2.2]octane-3,2'-thiazolidine]one
OPENEYE Name: spiro[quinuclidin-1-ium-3,2'-thiazolidine]-4'-one
IUPAC Name: spiro[1,3-thiazolidine-2,3'-1-azoniabicyclo[2.2.2]octane]-4-one
SYSTEMATIC NAME: spiro[1,3-thiazolidine-2,3'-1-azoniabicyclo[2.2.2]octane]-4-one
MOLECULAR FORMULA: C9H15N2OS+
MOLECULAR WEIGHT: 199.2932
SMILES: C1C[NH+]2CCC1C3(C2)NC(=O)CS3
Structure:
CAS RN: 6070-89-9
CAS Name: 2-(4-bromophenyl)-8-(2,4-dichloroanilino)-6-(2-hydroxy-3-prop-2-enylphenyl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 6-(3-allyl-2-hydroxy-phenyl)-2-(4-bromophenyl)-8-(2,4-dichloroanilino)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 2-(4-bromophenyl)-8-(2,4-dichloroanilino)-6-(2-hydroxy-3-prop-2-enylphenyl)-6a-(4-methoxyphenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2-(4-bromophenyl)-8-[(2,4-dichlorophenyl)amino]-6a-(4-methoxyphenyl)-6-(2-oxidanyl-3-prop-2-enyl-phenyl)-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C42H34BrCl2N3O6
MOLECULAR WEIGHT: 827.54586
SMILES: COC1=CC=C(C=C1)C23C(CC4C5C(CC=C4C2C6=C(C(=CC=C6)CC=C)O)C(=O)N(C5=O)C7=CC=C(C=C7)Br)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
Structure:
CAS RN: 6070-28-6
CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-hydroxy-1-naphthalenyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-hydroxy-1-naphthyl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-hydroxynaphthalen-1-yl)-8-(4-methylanilino)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2-[3,5-bis(trifluoromethyl)phenyl]-8-[(4-methylphenyl)amino]-6-(4-oxidanylnaphthalen-1-yl)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C45H33F6N3O5
MOLECULAR WEIGHT: 809.751039
SMILES: CC1=CC=C(C=C1)NN2C(=O)C3CC4C5C(CC=C4C(C3(C2=O)C6=CC=CC=C6)C7=CC=C(C8=CC=CC=C78)O)C(=O)N(C5=O)C9=CC(=CC(=C9)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 4904-05-6
CAS Name: 2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-N-(4-methylphenyl)-2-propenamide
OPENEYE Name: 2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]-N-(p-tolyl)prop-2-enamide
IUPAC Name: 2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)prop-2-enamide
SYSTEMATIC NAME: 2-cyano-3-[9-methyl-2-(3-methylphenoxy)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)prop-2-enamide
MOLECULAR FORMULA: C27H22N4O3
MOLECULAR WEIGHT: 450.48858
SMILES: CC1=CC=C(C=C1)NC(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)OC4=CC=CC(=C4)C)C#N
Structure:
CAS RN: 4901-60-4
CAS Name: 4-methyl-N-[5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
OPENEYE Name: N-[7-(4-isopropylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-methyl-benzamide
IUPAC Name: 4-methyl-N-[5-oxo-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
SYSTEMATIC NAME: 4-methyl-N-[5-oxidanylidene-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
MOLECULAR FORMULA: C25H25N3O2
MOLECULAR WEIGHT: 399.4849
SMILES: CC1=CC=C(C=C1)C(=O)NC2=NC=C3C(=N2)CC(CC3=O)C4=CC=C(C=C4)C(C)C
Structure:
CAS RN: 6809-59-2
CAS Name: 3-(3-chloro-4-fluorophenyl)-1-[[1-[(2-chloro-4-fluorophenyl)methyl]-2-pyrrolyl]methyl]-1-(2-phenylethyl)thiourea
OPENEYE Name: 3-(3-chloro-4-fluoro-phenyl)-1-[[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrrol-2-yl]methyl]-1-(2-phenylethyl)thiourea
IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-(2-phenylethyl)thiourea
SYSTEMATIC NAME: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-[[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrrol-2-yl]methyl]-1-(2-phenylethyl)thiourea
MOLECULAR FORMULA: C27H23Cl2F2N3S
MOLECULAR WEIGHT: 530.459426
SMILES: C1=CC=C(C=C1)CCN(CC2=CC=CN2CC3=C(C=C(C=C3)F)Cl)C(=S)NC4=CC(=C(C=C4)F)Cl
Structure:
CAS RN: 6712-29-4
CAS Name: 4-[5-[(ethoxycarbonylhydrazinylidene)methyl]-2-furanyl]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[5-[(ethoxycarbonylhydrazono)methyl]-2-furyl]benzoate
IUPAC Name: ethyl 4-[5-[(ethoxycarbonylhydrazinylidene)methyl]furan-2-yl]benzoate
SYSTEMATIC NAME: ethyl 4-[5-[(ethoxycarbonylhydrazinylidene)methyl]furan-2-yl]benzoate
MOLECULAR FORMULA: C17H18N2O5
MOLECULAR WEIGHT: 330.33522
SMILES: CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=NNC(=O)OCC
Structure:
CAS RN: 5847-09-6
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethoxy]acetamide
OPENEYE Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethoxy]acetamide
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]ethanamide
MOLECULAR FORMULA: C23H27N3O6
MOLECULAR WEIGHT: 441.47698
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(=O)COCC(=O)NCC3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 5735-67-1
CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[[4-(4-fluorophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester
OPENEYE Name: [2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate
IUPAC Name: [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
SYSTEMATIC NAME: [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate
MOLECULAR FORMULA: C25H16FN3O3S2
MOLECULAR WEIGHT: 489.541243
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)F
Structure:
CAS RN: 5216-82-0
CAS Name: N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]octanediamide
OPENEYE Name: N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]octanediamide
IUPAC Name: N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]octanediamide
SYSTEMATIC NAME: N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-oxidanylpyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]octanediamide
MOLECULAR FORMULA: C43H52N4O6
MOLECULAR WEIGHT: 720.89618
SMILES: C1CN(CC1O)CC2CC(OC(O2)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)CCCCCCC(=O)NC5=CC=CC=C5N)C6=CC=C(C=C6)CO
Structure:
CAS RN: 5281-48-1
CAS Name: 2-[[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester
OPENEYE Name: methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methyl-butanoate
IUPAC Name: methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
SYSTEMATIC NAME: methyl 2-[[4-(4-fluorophenyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoate
MOLECULAR FORMULA: C17H24FN3O3
MOLECULAR WEIGHT: 337.389163
SMILES: CC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)C2=CC=C(C=C2)F
Structure:
CAS RN: 6774-50-1
CAS Name: N-cycloheptyl-3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
OPENEYE Name: N-cycloheptyl-3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
IUPAC Name: N-cycloheptyl-3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
SYSTEMATIC NAME: N-cycloheptyl-3-(1H-indol-3-yl)-2-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanamide
MOLECULAR FORMULA: C27H32N4O4S
MOLECULAR WEIGHT: 508.63238
SMILES: C1CCCC(CC1)NC(=O)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC5=C(C=C4)NC(=O)CC5
Structure:
CAS RN: 6517-93-7
CAS Name: N-(2-hydroxy-4,5-dimethylphenyl)-3-pyridinecarboxamide
OPENEYE Name: N-(2-hydroxy-4,5-dimethyl-phenyl)pyridine-3-carboxamide
IUPAC Name: N-(2-hydroxy-4,5-dimethylphenyl)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(4,5-dimethyl-2-oxidanyl-phenyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: CC1=CC(=C(C=C1C)O)NC(=O)C2=CN=CC=C2
Structure:
CAS RN: 6517-32-4
CAS Name: 6-imino-2-(methylthio)-1-phenyl-5-pyrimidinecarbonitrile
OPENEYE Name: 6-imino-2-methylsulfanyl-1-phenyl-pyrimidine-5-carbonitrile
IUPAC Name: 6-imino-2-methylsulfanyl-1-phenylpyrimidine-5-carbonitrile
SYSTEMATIC NAME: 6-azanylidene-2-methylsulfanyl-1-phenyl-pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C12H10N4S
MOLECULAR WEIGHT: 242.2996
SMILES: CSC1=NC=C(C(=N)N1C2=CC=CC=C2)C#N
Structure:
CAS RN: 5276-89-1
CAS Name: 2-amino-1-(2-oxolanylmethyl)-N-(3-phenylpropyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide
OPENEYE Name: 2-amino-N-(3-phenylpropyl)-1-(tetrahydrofuran-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
IUPAC Name: 2-amino-1-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SYSTEMATIC NAME: 2-azanyl-1-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
MOLECULAR FORMULA: C25H27N5O2
MOLECULAR WEIGHT: 429.51418
SMILES: C1CC(OC1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCCC5=CC=CC=C5)N
Structure:
CAS RN: 6697-40-1
CAS Name: 4-(4-morpholin-4-iumylmethyl)-2,6-di(propan-2-yl)phenol
OPENEYE Name: 2,6-diisopropyl-4-(morpholin-4-ium-4-ylmethyl)phenol
IUPAC Name: 4-(morpholin-4-ium-4-ylmethyl)-2,6-di(propan-2-yl)phenol
SYSTEMATIC NAME: 4-(morpholin-4-ium-4-ylmethyl)-2,6-di(propan-2-yl)phenol
MOLECULAR FORMULA: C17H28NO2+
MOLECULAR WEIGHT: 278.40972
SMILES: CC(C)C1=CC(=CC(=C1O)C(C)C)C[NH+]2CCOCC2
Structure:
CAS RN: 6697-39-8
CAS Name: N-(4-phenylmethoxyphenyl)-4-quinazolinamine
OPENEYE Name: N-(4-benzyloxyphenyl)quinazolin-4-amine
IUPAC Name: N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SYSTEMATIC NAME: N-(4-phenylmethoxyphenyl)quinazolin-4-amine
MOLECULAR FORMULA: C21H17N3O
MOLECULAR WEIGHT: 327.37918
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43
Structure:
CAS RN: 4607-16-3
CAS Name: N,N-diethylcarbamodithioic acid (2,2,2-trichloro-1-formamidoethyl) ester
OPENEYE Name: (2,2,2-trichloro-1-formamido-ethyl) N,N-diethylcarbamodithioate
IUPAC Name: (2,2,2-trichloro-1-formamidoethyl) N,N-diethylcarbamodithioate
SYSTEMATIC NAME: [2,2,2-tris(chloranyl)-1-formamido-ethyl] N,N-diethylcarbamodithioate
MOLECULAR FORMULA: C8H13Cl3N2OS2
MOLECULAR WEIGHT: 323.69062
SMILES: CCN(CC)C(=S)SC(C(Cl)(Cl)Cl)NC=O
Structure:
CAS RN: 5630-73-9
CAS Name: 4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-butoxyphenyl)-5-oxazolone
OPENEYE Name: 4-(1,3-benzodioxol-5-ylmethylene)-2-(4-butoxyphenyl)oxazol-5-one
IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-butoxyphenyl)-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-butoxyphenyl)-1,3-oxazol-5-one
MOLECULAR FORMULA: C21H19NO5
MOLECULAR WEIGHT: 365.37926
SMILES: CCCCOC1=CC=C(C=C1)C2=NC(=CC3=CC4=C(C=C3)OCO4)C(=O)O2
Structure:
CAS RN: 5630-12-6
CAS Name: 2-[[1-oxo-2-(1-oxopentoxy)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-[(2-pentanoyloxyacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: propan-2-yl 2-[(2-pentanoyloxyacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 2-(2-pentanoyloxyethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C19H27NO5S
MOLECULAR WEIGHT: 381.48638
SMILES: CCCCC(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C
Structure:
CAS RN: 5514-47-6
CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]benzimidazole
OPENEYE Name: 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
IUPAC Name: 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
SYSTEMATIC NAME: 1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
MOLECULAR FORMULA: C18H19ClN4
MOLECULAR WEIGHT: 326.82326
SMILES: C1CN(CCN1CN2C=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl
Structure:
CAS RN: 5216-80-8
CAS Name: N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide
OPENEYE Name: N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide
IUPAC Name: N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide
SYSTEMATIC NAME: N'-(2-aminophenyl)-N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-6-[(3-oxidanylpyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]hexanediamide
MOLECULAR FORMULA: C41H48N4O6
MOLECULAR WEIGHT: 692.84302
SMILES: C1CN(CC1O)CC2CC(OC(O2)C3=CC=CC(=C3)C4=CC(=CC=C4)CNC(=O)CCCCC(=O)NC5=CC=CC=C5N)C6=CC=C(C=C6)CO
Structure:
CAS RN: 6364-09-6
CAS Name: 2-cyano-N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]acetamide
OPENEYE Name: 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
IUPAC Name: 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: 2-cyano-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C15H15N5O3S
MOLECULAR WEIGHT: 345.3763
SMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC#N)C
Structure:
CAS RN: 6361-64-4
CAS Name: 2-(3,4-dichlorophenyl)-N-prop-2-enyl-4-quinolinecarboxamide
OPENEYE Name: N-allyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
IUPAC Name: 2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-N-prop-2-enyl-quinoline-4-carboxamide
MOLECULAR FORMULA: C19H14Cl2N2O
MOLECULAR WEIGHT: 357.23326
SMILES: C=CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 6572-55-0
CAS Name: 4-(ethylthio)spiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-1-ium-2,1'-cyclohexane]
OPENEYE Name: 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-1-ium-2,1'-cyclohexane]
IUPAC Name: 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-1-ium-2,1'-cyclohexane]
SYSTEMATIC NAME: 4-ethylsulfanylspiro[5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-1-ium-2,1'-cyclohexane]
MOLECULAR FORMULA: C17H25N2S2+
MOLECULAR WEIGHT: 321.5238
SMILES: CCSC1=NC2(CCCCC2)[NH2+]C3=C1C4=C(S3)CCCC4
Structure:
CAS RN: 5974-04-9
CAS Name: 5-[[2-[[[(2-fluoroanilino)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-N-[1-(phenylmethyl)-4-piperidinyl]-2-furancarboxamide
OPENEYE Name: N-(1-benzyl-4-piperidyl)-5-[[2-[[(2-fluorophenyl)carbamoyl-propyl-amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
IUPAC Name: N-(1-benzylpiperidin-4-yl)-5-[[2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
SYSTEMATIC NAME: 5-[[2-[[(2-fluorophenyl)carbamoyl-propyl-amino]methyl]pyrrol-1-yl]methyl]-N-[1-(phenylmethyl)piperidin-4-yl]furan-2-carboxamide
MOLECULAR FORMULA: C33H38FN5O3
MOLECULAR WEIGHT: 571.684923
SMILES: CCCN(CC1=CC=CN1CC2=CC=C(O2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C(=O)NC5=CC=CC=C5F
Structure:
CAS RN: 5614-94-8
CAS Name: pyridine-2,6-dicarboxylic acid O2-ethyl ester O6-(3-methylphenyl) ester
OPENEYE Name: O2-ethyl O6-(m-tolyl) pyridine-2,6-dicarboxylate
IUPAC Name: 2-O-ethyl 6-O-(3-methylphenyl) pyridine-2,6-dicarboxylate
SYSTEMATIC NAME: O2-ethyl O6-(3-methylphenyl) pyridine-2,6-dicarboxylate
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: CCOC(=O)C1=CC=CC(=N1)C(=O)OC2=CC=CC(=C2)C
Structure:
CAS RN: 5614-33-5
CAS Name: 2-amino-1-(2,4-dichlorophenyl)ethanone
OPENEYE Name: 2-amino-1-(2,4-dichlorophenyl)ethanone
IUPAC Name: 2-amino-1-(2,4-dichlorophenyl)ethanone
SYSTEMATIC NAME: 2-azanyl-1-(2,4-dichlorophenyl)ethanone
MOLECULAR FORMULA: C8H7Cl2NO
MOLECULAR WEIGHT: 204.05328
SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)CN
Structure:
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