CAS RN: 23711-48-0
CAS Name: (4E)-4-[(4-ethoxyanilino)methylidene]-5-methyl-2-phenyl-3-pyrazolone
OPENEYE Name: (4E)-4-[(4-ethoxyanilino)methylene]-5-methyl-2-phenyl-pyrazol-3-one
IUPAC Name: (4E)-4-[(4-ethoxyanilino)methylidene]-5-methyl-2-phenylpyrazol-3-one
SYSTEMATIC NAME: (4E)-4-[[(4-ethoxyphenyl)amino]methylidene]-5-methyl-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C19H19N3O2
MOLECULAR WEIGHT: 321.37306
SMILES: CCOC1=CC=C(C=C1)N/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C
Structure:
CAS RN: 26178-94-9
CAS Name: (4Z)-3-methyl-4-[(4-methylphenyl)hydrazinylidene]-5-oxo-1-pyrazolecarbothioamide
OPENEYE Name: (4Z)-3-methyl-5-oxo-4-(p-tolylhydrazono)pyrazole-1-carbothioamide
IUPAC Name: (4Z)-3-methyl-4-[(4-methylphenyl)hydrazinylidene]-5-oxopyrazole-1-carbothioamide
SYSTEMATIC NAME: (4Z)-3-methyl-4-[(4-methylphenyl)hydrazinylidene]-5-oxidanylidene-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C12H13N5OS
MOLECULAR WEIGHT: 275.32952
SMILES: CC1=CC=C(C=C1)N/N=C\2/C(=NN(C2=O)C(=S)N)C
Structure:
CAS RN: 13410-86-1
CAS Name: 2-[2-[(Z)-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]methyl]phenoxy]acetic acid
OPENEYE Name: 2-[2-[(Z)-(pyridine-4-carbonylhydrazono)methyl]phenoxy]acetic acid
IUPAC Name: 2-[2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(Z)-(pyridin-4-ylcarbonylhydrazinylidene)methyl]phenoxy]ethanoic acid
MOLECULAR FORMULA: C15H13N3O4
MOLECULAR WEIGHT: 299.28142
SMILES: C1=CC=C(C(=C1)/C=N\NC(=O)C2=CC=NC=C2)OCC(=O)O
Structure:
CAS RN: 52851-60-2
CAS Name: (3Z)-3-[ethoxy(hydroxy)methylidene]-1-ethylquinoline-2,4-dione
OPENEYE Name: (3Z)-3-[ethoxy(hydroxy)methylene]-1-ethyl-quinoline-2,4-dione
IUPAC Name: (3Z)-3-[ethoxy(hydroxy)methylidene]-1-ethylquinoline-2,4-dione
SYSTEMATIC NAME: (3Z)-3-[ethoxy(oxidanyl)methylidene]-1-ethyl-quinoline-2,4-dione
MOLECULAR FORMULA: C14H15NO4
MOLECULAR WEIGHT: 261.2732
SMILES: CCN1C2=CC=CC=C2C(=O)/C(=C(\O)/OCC)/C1=O
Structure:
CAS RN: 18651-15-5
CAS Name: 7-hydroxy-3-methyl-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-3-methyl-2-phenyl-chromen-4-one
IUPAC Name: 7-hydroxy-3-methyl-2-phenylchromen-4-one
SYSTEMATIC NAME: 3-methyl-7-oxidanyl-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C16H12O3
MOLECULAR WEIGHT: 252.26468
SMILES: CC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 56843-28-8
CAS Name: (1Z)-2,4-dichlorobenzaldehyde oxime
OPENEYE Name: (1Z)-2,4-dichlorobenzaldehyde oxime
IUPAC Name: (NZ)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine
MOLECULAR FORMULA: C7H5Cl2NO
MOLECULAR WEIGHT: 190.0267
SMILES: C1=CC(=C(C=C1Cl)Cl)/C=N\O
Structure:
CAS RN: 79155-44-5
CAS Name: [(E)-1-(5-chloro-2-thiophenyl)ethylideneamino]thiourea
OPENEYE Name: [(E)-1-(5-chloro-2-thienyl)ethylideneamino]thiourea
IUPAC Name: [(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]thiourea
SYSTEMATIC NAME: 1-[(E)-1-(5-chloranylthiophen-2-yl)ethylideneamino]thiourea
MOLECULAR FORMULA: C7H8ClN3S2
MOLECULAR WEIGHT: 233.74152
SMILES: C/C(=N\NC(=S)N)/C1=CC=C(S1)Cl
Structure:
CAS RN: 92577-28-1
CAS Name: N-[(E)-(5-methyl-2-furanyl)methylideneamino]-4-pyridinecarboxamide
OPENEYE Name: N-[(E)-(5-methyl-2-furyl)methyleneamino]pyridine-4-carboxamide
IUPAC Name: N-[(E)-(5-methylfuran-2-yl)methylideneamino]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(E)-(5-methylfuran-2-yl)methylideneamino]pyridine-4-carboxamide
MOLECULAR FORMULA: C12H11N3O2
MOLECULAR WEIGHT: 229.23464
SMILES: CC1=CC=C(O1)/C=N/NC(=O)C2=CC=NC=C2
Structure:
CAS RN: 2929-81-9
CAS Name: [(Z)-[4-(dimethylamino)phenyl]methylideneamino]thiourea
OPENEYE Name: [(Z)-[4-(dimethylamino)phenyl]methyleneamino]thiourea
IUPAC Name: [(Z)-[4-(dimethylamino)phenyl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]thiourea
MOLECULAR FORMULA: C10H14N4S
MOLECULAR WEIGHT: 222.30996
SMILES: CN(C)C1=CC=C(C=C1)/C=N\NC(=S)N
Structure:
CAS RN: 52814-39-8
CAS Name: 2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-6-yl)oxy]acetic acid
OPENEYE Name: 2-(7-hydroxy-4-methyl-2-oxo-chromen-6-yl)oxyacetic acid
IUPAC Name: 2-(7-hydroxy-4-methyl-2-oxochromen-6-yl)oxyacetic acid
SYSTEMATIC NAME: 2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-6-yl)oxyethanoic acid
MOLECULAR FORMULA: C12H10O6
MOLECULAR WEIGHT: 250.2042
SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)O)O
Structure:
CAS RN: 15687-22-6
CAS Name: 6,7-dihydroxy-4-(4-morpholinylmethyl)-1-benzopyran-2-one
OPENEYE Name: 6,7-dihydroxy-4-(morpholinomethyl)chromen-2-one
IUPAC Name: 6,7-dihydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
SYSTEMATIC NAME: 4-(morpholin-4-ylmethyl)-6,7-bis(oxidanyl)chromen-2-one
MOLECULAR FORMULA: C14H15NO5
MOLECULAR WEIGHT: 277.2726
SMILES: C1COCCN1CC2=CC(=O)OC3=CC(=C(C=C23)O)O
Structure:
CAS RN: 5280-34-2
CAS Name: N-[7-(4-methoxyphenyl)-5-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-furancarboxamide
OPENEYE Name: N-[7-(4-methoxyphenyl)-5-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
IUPAC Name: N-[7-(4-methoxyphenyl)-5-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[7-(4-methoxyphenyl)-5-phenyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C23H21N5O3
MOLECULAR WEIGHT: 415.44454
SMILES: COC1=CC=C(C=C1)C2CC(N=C3N2NC(=N3)NC(=O)C4=CC=CO4)C5=CC=CC=C5
Structure:
CAS RN: 71125-38-7
CAS Name: (3Z)-3-[hydroxy-[(5-methyl-2-thiazolyl)amino]methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
OPENEYE Name: (3Z)-3-[hydroxy-[(5-methylthiazol-2-yl)amino]methylene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
IUPAC Name: (3Z)-3-[hydroxy-[(5-methyl-1,3-thiazol-2-yl)amino]methylidene]-2-methyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-one
SYSTEMATIC NAME: (3Z)-2-methyl-3-[[(5-methyl-1,3-thiazol-2-yl)amino]-oxidanyl-methylidene]-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-one
MOLECULAR FORMULA: C14H13N3O4S2
MOLECULAR WEIGHT: 351.40072
SMILES: CC1=CN=C(S1)N/C(=C/2\C(=O)C3=CC=CC=C3S(=O)(=O)N2C)/O
Structure:
CAS RN: 143-67-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H60N4O13S
MOLECULAR WEIGHT: 909.0526
SMILES: CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
Structure:
CAS RN: 34140-59-5
CAS Name: (Z)-2-butenedioic acid; 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester
OPENEYE Name: [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; [2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C26H33NO9
MOLECULAR WEIGHT: 503.54152
SMILES: CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 58997-91-4
CAS Name: (Z)-2-butenedioic acid; 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester
OPENEYE Name: [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; [2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C26H33NO9
MOLECULAR WEIGHT: 503.54152
SMILES: CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C(=C\C(=O)O)\C(=O)O
Structure:
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