CAS RN: 52197-26-9
CAS Name: [(Z)-(2,3-dicyano-9-indeno[1,2-b]pyrazinylidene)amino]thiourea
OPENEYE Name: [(Z)-(2,3-dicyanoindeno[1,2-b]pyrazin-9-ylidene)amino]thiourea
IUPAC Name: [(Z)-(2,3-dicyanoindeno[1,2-b]pyrazin-9-ylidene)amino]thiourea
SYSTEMATIC NAME: 1-[(Z)-(2,3-dicyanoindeno[1,2-b]pyrazin-9-ylidene)amino]thiourea
MOLECULAR FORMULA: C14H7N7S
MOLECULAR WEIGHT: 305.31728
SMILES: C1=CC=C\2C(=C1)C3=NC(=C(N=C3/C2=N\NC(=S)N)C#N)C#N
Structure:
CAS RN: 42074-66-8
CAS Name: 1-(2-chlorophenyl)-1,1-diphenyl-N-[(Z)-2-pyrrolylidenemethyl]methanamine
OPENEYE Name: 1-(2-chlorophenyl)-1,1-diphenyl-N-[(Z)-pyrrol-2-ylidenemethyl]methanamine
IUPAC Name: 1-(2-chlorophenyl)-1,1-diphenyl-N-[(Z)-pyrrol-2-ylidenemethyl]methanamine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-1,1-diphenyl-N-[(Z)-pyrrol-2-ylidenemethyl]methanamine
MOLECULAR FORMULA: C24H19ClN2
MOLECULAR WEIGHT: 370.87406
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N/C=C\4/C=CC=N4
Structure:
CAS RN: 43218-94-6
CAS Name: (4E,8E)-2-[2-(dimethylamino)ethyl]-5,9,13-trimethyltetradeca-4,8,12-trienoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester
OPENEYE Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-2-[2-(dimethylamino)ethyl]-5,9,13-trimethyl-tetradeca-4,8,12-trienoate
IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-2-[2-(dimethylamino)ethyl]-5,9,13-trimethyltetradeca-4,8,12-trienoate
SYSTEMATIC NAME: [(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-2-[2-(dimethylamino)ethyl]-5,9,13-trimethyl-tetradeca-4,8,12-trienoate
MOLECULAR FORMULA: C31H53NO2
MOLECULAR WEIGHT: 471.75802
SMILES: CC(=CCC/C(=C/CC/C(=C/CC(CCN(C)C)C(=O)OC/C=C(\C)/CCC=C(C)C)/C)/C)C
Structure:
CAS RN: 18067-39-5
CAS Name: 2-(dimethylamino)-3-methyl-N-[(2Z)-6-(2-methylpropyl)-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]pentanamide
OPENEYE Name: 2-(dimethylamino)-N-[(2Z)-6-isobutyl-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methyl-pentanamide
IUPAC Name: 2-(dimethylamino)-3-methyl-N-[(2Z)-6-(2-methylpropyl)-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]pentanamide
SYSTEMATIC NAME: 2-(dimethylamino)-3-methyl-N-[(2Z)-6-(2-methylpropyl)-5,8-bis(oxidanylidene)-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]pentanamide
MOLECULAR FORMULA: C31H42N4O4
MOLECULAR WEIGHT: 534.68958
SMILES: CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)/C=C\NC(=O)C(NC1=O)CC(C)C)C3=CC=CC=C3)N(C)C
Structure:
CAS RN: 38485-12-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: C/C=C/1\C2CC3C4(C5(CC(C2(C5)C(=O)OC)N3C1O)C6=CC=CC=C6N4)O
Structure:
CAS RN: 91174-00-4
CAS Name: (E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-propenoic acid (phenylmethyl) ester
OPENEYE Name: benzyl (E)-3-(3,4-dibenzyloxyphenyl)prop-2-enoate
IUPAC Name: benzyl (E)-3-[3,4-bis(phenylmethoxy)phenyl]prop-2-enoate
SYSTEMATIC NAME: (phenylmethyl) (E)-3-[3,4-bis(phenylmethoxy)phenyl]prop-2-enoate
MOLECULAR FORMULA: C30H26O4
MOLECULAR WEIGHT: 450.52504
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C/C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4
Structure:
CAS RN: 4080-31-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H16ClN4+
MOLECULAR WEIGHT: 215.70314
SMILES: C1N2CN3CN1C[N+](C2)(C3)C/C=C/Cl
Structure:
CAS RN: 51523-45-6
CAS Name: tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)ammonio]but-2-enyl]ammonium
OPENEYE Name: triallyl-[(E)-4-(triallylammonio)but-2-enyl]ammonium
IUPAC Name: tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium
SYSTEMATIC NAME: tris(prop-2-enyl)-[(E)-4-[tris(prop-2-enyl)azaniumyl]but-2-enyl]azanium
MOLECULAR FORMULA: C22H36N2+2
MOLECULAR WEIGHT: 328.53464
SMILES: C=CC[N+](CC=C)(CC=C)C/C=C/C[N+](CC=C)(CC=C)CC=C
Structure:
CAS RN: 21100-61-8
CAS Name: (Z)-2-diethoxyphosphoryl-1,3-diphenyl-2-propen-1-one
OPENEYE Name: (Z)-2-diethoxyphosphoryl-1,3-diphenyl-prop-2-en-1-one
IUPAC Name: (Z)-2-diethoxyphosphoryl-1,3-diphenylprop-2-en-1-one
SYSTEMATIC NAME: (Z)-2-diethoxyphosphoryl-1,3-diphenyl-prop-2-en-1-one
MOLECULAR FORMULA: C19H21O4P
MOLECULAR WEIGHT: 344.341401
SMILES: CCOP(=O)(/C(=C\C1=CC=CC=C1)/C(=O)C2=CC=CC=C2)OCC
Structure:
CAS RN: 52474-42-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H81N3O12
MOLECULAR WEIGHT: 964.23384
SMILES: CCCCCCCCN(CCCCCCCC)N/C=C/1\C2=C(C3=C(C(=C4C(=C3C1=O)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)N2)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 52437-59-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H64N2O13
MOLECULAR WEIGHT: 877.02736
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOC/C=C(\C)/CCC=C(C)C)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 23545-60-0
CAS Name: 1-[(1E,3E)-5-(1-piperidin-1-iumylidene)penta-1,3-dienyl]piperidine
OPENEYE Name: 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
IUPAC Name: 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
SYSTEMATIC NAME: 1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
MOLECULAR FORMULA: C15H25N2+
MOLECULAR WEIGHT: 233.3724
SMILES: C1CCN(CC1)/C=C/C=C/C=[N+]2CCCCC2
Structure:
CAS RN: 35852-26-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24O9
MOLECULAR WEIGHT: 420.40986
SMILES: CC1C(O1)(C)C(=O)OC2C3C(C=C(C4C(O4)/C=C(\C2O)/C(=O)OC)C)OC(=O)C3=C
Structure:
CAS RN: 16964-00-4
CAS Name: (1Z)-1-[[[4-[[[(Z)-(2-oxo-1-naphthalenylidene)methyl]amino]methyl]cyclohexyl]methylamino]methylidene]-2-naphthalenone
OPENEYE Name: (1Z)-1-[[[4-[[[(Z)-(2-oxo-1-naphthylidene)methyl]amino]methyl]cyclohexyl]methylamino]methylene]naphthalen-2-one
IUPAC Name: (1Z)-1-[[[4-[[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]methyl]cyclohexyl]methylamino]methylidene]naphthalen-2-one
SYSTEMATIC NAME: (1Z)-1-[[[4-[[[(Z)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]amino]methyl]cyclohexyl]methylamino]methylidene]naphthalen-2-one
MOLECULAR FORMULA: C30H30N2O2
MOLECULAR WEIGHT: 450.5714
SMILES: C1C(CCC(C1)CN/C=C\2/C3=CC=CC=C3C=CC2=O)CN/C=C\4/C5=CC=CC=C5C=CC4=O
Structure:
CAS RN: 38601-82-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H57BrN2O12
MOLECULAR WEIGHT: 945.88708
SMILES: CC1/C=C\C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2C(=C(N5CC6=CC=C(C=C6)Br)C)C(=O)C)O)/C
Structure:
CAS RN: 38601-72-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H60N2O12
MOLECULAR WEIGHT: 796.9427
SMILES: CCN(CC)CC1=C(C2=C3C(=C1NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3OC)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)O
Structure:
CAS RN: 21664-76-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H57N3O12
MOLECULAR WEIGHT: 819.93628
SMILES: CC1/C=C\C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2C(=C(N5C)C)C(=O)N(C)C)O)/C
Structure:
CAS RN: 15299-47-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H55N3O12S
MOLECULAR WEIGHT: 874.0068
SMILES: CC1/C=C/C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2SCCC5=NC6=CC=CC=C6N5)O)O)\C
Structure:
CAS RN: 38129-10-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H56N2O14
MOLECULAR WEIGHT: 812.89904
SMILES: CC1/C=C/C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2C[N+]5(CCOCC5)[O-])O)O)\C
Structure:
CAS RN: 4075-48-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H62N2O12
MOLECULAR WEIGHT: 822.97998
SMILES: CC1CCCC(N1CC2=C(C3=C4C(=C(C5=C3C(=O)C(O5)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)NC2=C4O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C
Structure:
CAS RN: 38128-98-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H57N3O12
MOLECULAR WEIGHT: 855.96838
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/C=C(\C)/NNC5=CC=CC=C5)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 38128-99-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H60N2O13
MOLECULAR WEIGHT: 885.0063
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/C=C(\C)/NOCCC5=CC=CC=C5)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
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