CAS RN: 49819-04-7
CAS Name: (Z)-2-(4-chlorophenoxy)-3-(3,4-dimethoxyphenyl)-2-propenoic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl (Z)-2-(4-chlorophenoxy)-3-(3,4-dimethoxyphenyl)prop-2-enoate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl (Z)-2-(4-chlorophenoxy)-3-(3,4-dimethoxyphenyl)prop-2-enoate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl (Z)-2-(4-chloranylphenoxy)-3-(3,4-dimethoxyphenyl)prop-2-enoate hydrochloride
MOLECULAR FORMULA: C23H29Cl2NO5
MOLECULAR WEIGHT: 470.38606
SMILES: CCN(CC)CCOC(=O)/C(=C/C1=CC(=C(C=C1)OC)OC)/OC2=CC=C(C=C2)Cl.Cl
Structure:
CAS RN: 49819-01-4
CAS Name: (Z)-2-(4-chlorophenoxy)-3-phenyl-2-propenoic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl (Z)-2-(4-chlorophenoxy)-3-phenyl-prop-2-enoate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl (Z)-2-(4-chlorophenoxy)-3-phenylprop-2-enoate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl (Z)-2-(4-chloranylphenoxy)-3-phenyl-prop-2-enoate hydrochloride
MOLECULAR FORMULA: C21H25Cl2NO3
MOLECULAR WEIGHT: 410.3341
SMILES: CCN(CC)CCOC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=C(C=C2)Cl.Cl
Structure:
CAS RN: 49818-99-7
CAS Name: (Z)-2-(4-chlorophenoxy)-3-phenyl-2-propenoic acid 2-(methylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(methylamino)ethyl (Z)-2-(4-chlorophenoxy)-3-phenyl-prop-2-enoate hydrochloride
IUPAC Name: 2-(methylamino)ethyl (Z)-2-(4-chlorophenoxy)-3-phenylprop-2-enoate hydrochloride
SYSTEMATIC NAME: 2-(methylamino)ethyl (Z)-2-(4-chloranylphenoxy)-3-phenyl-prop-2-enoate hydrochloride
MOLECULAR FORMULA: C18H19Cl2NO3
MOLECULAR WEIGHT: 368.25436
SMILES: CNCCOC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=C(C=C2)Cl.Cl
Structure:
CAS RN: 49806-99-7
CAS Name: 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid cyclohexyl ester chloride
OPENEYE Name: cyclohexyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: cyclohexyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: cyclohexyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C24H36ClNO2
MOLECULAR WEIGHT: 406.00114
SMILES: C/C(=C\C[N+]1(CCCCC1)CC(=O)OC2CCCCC2)/CC3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 49806-97-5
CAS Name: 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid octyl ester chloride
OPENEYE Name: octyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: octyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: octyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C26H42ClNO2
MOLECULAR WEIGHT: 436.07018
SMILES: CCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 49806-95-3
CAS Name: 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid hexyl ester chloride
OPENEYE Name: hexyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: hexyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: hexyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C24H38ClNO2
MOLECULAR WEIGHT: 408.01702
SMILES: CCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 49806-94-2
CAS Name: 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid pentyl ester chloride
OPENEYE Name: pentyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: pentyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: pentyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C23H36ClNO2
MOLECULAR WEIGHT: 393.99044
SMILES: CCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 49806-93-1
CAS Name: 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid butyl ester chloride
OPENEYE Name: butyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: butyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: butyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C22H34ClNO2
MOLECULAR WEIGHT: 379.96386
SMILES: CCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 49806-92-0
CAS Name: 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid propyl ester chloride
OPENEYE Name: propyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: propyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: propyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C21H32ClNO2
MOLECULAR WEIGHT: 365.93728
SMILES: CCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 49806-91-9
CAS Name: 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid ethyl ester chloride
OPENEYE Name: ethyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: ethyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: ethyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C20H30ClNO2
MOLECULAR WEIGHT: 351.9107
SMILES: CCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 49806-90-8
CAS Name: 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid methyl ester chloride
OPENEYE Name: methyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: methyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: methyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C19H28ClNO2
MOLECULAR WEIGHT: 337.88412
SMILES: C/C(=C\C[N+]1(CCCCC1)CC(=O)OC)/CC2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 49637-64-1
CAS Name: (2E)-5-hydroxy-4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-3-furanone
OPENEYE Name: (2E)-5-hydroxy-4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylene]furan-3-one
IUPAC Name: (2E)-5-hydroxy-4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]furan-3-one
SYSTEMATIC NAME: (2E)-4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-5-oxidanyl-furan-3-one
MOLECULAR FORMULA: C19H16O5
MOLECULAR WEIGHT: 324.32734
SMILES: COC1=CC=C(C=C1)/C=C/2\C(=O)C(=C(O2)O)C3=CC=C(C=C3)OC
Structure:
CAS RN: 49558-40-9
CAS Name: (E)-2-butenedioic acid; 8-methoxy-9-[2-(1-piperidinyl)ethyl]-1,2,3,4-tetrahydrocarbazole
OPENEYE Name: fumaric acid; 8-methoxy-9-[2-(1-piperidyl)ethyl]-1,2,3,4-tetrahydrocarbazole
IUPAC Name: (E)-but-2-enedioic acid; 8-methoxy-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazole
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 8-methoxy-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazole
MOLECULAR FORMULA: C24H32N2O5
MOLECULAR WEIGHT: 428.52128
SMILES: COC1=CC=CC2=C1N(C3=C2CCCC3)CCN4CCCCC4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 47623-22-3
CAS Name: (9Z)-N,N-dimethyl-9-[3-(1-piperazinyl)propylidene]-2-thioxanthenesulfonamide
OPENEYE Name: (9Z)-N,N-dimethyl-9-(3-piperazin-1-ylpropylidene)thioxanthene-2-sulfonamide
IUPAC Name: (9Z)-N,N-dimethyl-9-(3-piperazin-1-ylpropylidene)thioxanthene-2-sulfonamide
SYSTEMATIC NAME: (9Z)-N,N-dimethyl-9-(3-piperazin-1-ylpropylidene)thioxanthene-2-sulfonamide
MOLECULAR FORMULA: C22H27N3O2S2
MOLECULAR WEIGHT: 429.59868
SMILES: CN(C)S(=O)(=O)C1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C/CCN4CCNCC4
Structure:
CAS RN: 47623-20-1
CAS Name: (9E)-N,N-dimethyl-9-[3-(1-piperazinyl)propylidene]-2-thioxanthenesulfonamide
OPENEYE Name: (9E)-N,N-dimethyl-9-(3-piperazin-1-ylpropylidene)thioxanthene-2-sulfonamide
IUPAC Name: (9E)-N,N-dimethyl-9-(3-piperazin-1-ylpropylidene)thioxanthene-2-sulfonamide
SYSTEMATIC NAME: (9E)-N,N-dimethyl-9-(3-piperazin-1-ylpropylidene)thioxanthene-2-sulfonamide
MOLECULAR FORMULA: C22H27N3O2S2
MOLECULAR WEIGHT: 429.59868
SMILES: CN(C)S(=O)(=O)C1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C\CCN4CCNCC4
Structure:
CAS RN: 47371-61-9
CAS Name: (5E)-5-[[3-methoxy-2-(1H-pyrrol-2-yl)-2-pyrrolyl]methylidene]-2-methyl-3-pentylpyrrole
OPENEYE Name: (5E)-5-[[3-methoxy-2-(1H-pyrrol-2-yl)pyrrol-2-yl]methylene]-2-methyl-3-pentyl-pyrrole
IUPAC Name: (5E)-5-[[3-methoxy-2-(1H-pyrrol-2-yl)pyrrol-2-yl]methylidene]-2-methyl-3-pentylpyrrole
SYSTEMATIC NAME: (5E)-5-[[3-methoxy-2-(1H-pyrrol-2-yl)pyrrol-2-yl]methylidene]-2-methyl-3-pentyl-pyrrole
MOLECULAR FORMULA: C20H25N3O
MOLECULAR WEIGHT: 323.432
SMILES: CCCCCC1=C/C(=C\C2(C(=CC=N2)OC)C3=CC=CN3)/N=C1C
Structure:
CAS RN: 43182-92-9
CAS Name: (E)-2-butenedioic acid; 1-methyl-4-[3-(2-pyridinyloxy)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
OPENEYE Name: fumaric acid; 1-methyl-4-[3-(2-pyridyloxy)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-(3-pyridin-2-yloxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-methyl-4-(3-pyridin-2-yloxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
MOLECULAR FORMULA: C32H33N3O9S
MOLECULAR WEIGHT: 635.68412
SMILES: CN1CCN(CC1)C2C3=C(SC4=CC=CC=C4C2)C=CC(=C3)OC5=CC=CC=N5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 43114-71-2
CAS Name: propanoic acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetyloxy-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadec
OPENEYE Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetoxy-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexa
IUPAC Name: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetyloxy-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl]
SYSTEMATIC NAME: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetyloxy-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacyclo
MOLECULAR FORMULA: C40H65NO15
MOLECULAR WEIGHT: 799.9418
SMILES: CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)OC(=O)C)C
Structure:
CAS RN: 23846-85-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: C/C=C/1\C=CC2=NCCC3C12O3
Structure:
CAS RN: 43043-59-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H13NO5S
MOLECULAR WEIGHT: 259.27892
SMILES: C/C=C\1/C=CC2=NCCC3C12O3.OS(=O)(=O)O
Structure:
CAS RN: 43040-47-7
CAS Name: (E)-2-butenedioic acid; 3-[4-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-6-yl)-1-piperazinyl]-1-propanol
OPENEYE Name: 3-[4-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-6-yl)piperazin-1-yl]propan-1-ol
MOLECULAR FORMULA: C28H33N3O9S
MOLECULAR WEIGHT: 587.64132
SMILES: C1N(CCN(C1)C2C3=CC=CC=C3SC4=C(C2)C=CC=N4)CCCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 42920-51-4
CAS Name: (E)-2-butenedioic acid; 1,9-dimethyl-1-[2-(4-methyl-1-piperazinyl)ethyl]-3,4-dihydropyrano[3,4-b]indole
OPENEYE Name: 1,9-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyrano[3,4-b]indole; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1,9-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyrano[3,4-b]indole
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1,9-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydropyrano[3,4-b]indole
MOLECULAR FORMULA: C28H37N3O9
MOLECULAR WEIGHT: 559.60808
SMILES: CC1(OCCC2=C1N(C3=CC=CC=C23)C)CCN4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 42882-67-7
CAS Name: (E)-2-butenedioic acid; 4-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-1-piperazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]piperazine-1-carboxylate; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; ethyl 4-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]piperazine-1-carboxylate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethyl 4-[2-oxidanyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C24H34N2O7
MOLECULAR WEIGHT: 462.53596
SMILES: CCOC(=O)N1CCN(CC1)CC(C2=CC3=C(CCCCC3)C=C2)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 42882-63-3
CAS Name: 2-(1-piperidinyl)ethanol; (E)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-2-butenedioic acid
OPENEYE Name: 2-(1-piperidyl)ethanol; (E)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)but-2-enedioic acid
IUPAC Name: 2-piperidin-1-ylethanol; (E)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)but-2-enedioic acid
SYSTEMATIC NAME: 2-piperidin-1-ylethanol; (E)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)but-2-enedioic acid
MOLECULAR FORMULA: C22H31NO5
MOLECULAR WEIGHT: 389.48524
SMILES: C1CCC2=C(CC1)C=C(C=C2)/C(=C\C(=O)O)/C(=O)O.C1CCN(CC1)CCO
Structure:
CAS RN: 42882-43-9
CAS Name: (E)-2-butenedioic acid; 4-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-1-piperazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]piperazine-1-carboxylate; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; ethyl 4-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]piperazine-1-carboxylate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethyl 4-[2-oxidanylidene-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]piperazine-1-carboxylate
MOLECULAR FORMULA: C24H32N2O7
MOLECULAR WEIGHT: 460.52008
SMILES: CCOC(=O)N1CCN(CC1)CC(=O)C2=CC3=C(CCCCC3)C=C2.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 148332-68-7
CAS Name: 2-[methyl-[(E)-1-oxo-3-pyridin-4-ylprop-2-enyl]amino]acetic acid
OPENEYE Name: 2-[methyl-[(E)-3-(4-pyridyl)prop-2-enoyl]amino]acetic acid
IUPAC Name: 2-[methyl-[(E)-3-pyridin-4-ylprop-2-enoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[methyl-[(E)-3-pyridin-4-ylprop-2-enoyl]amino]ethanoic acid
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: CN(CC(=O)O)C(=O)/C=C/C1=CC=NC=C1
Structure:
CAS RN: 148332-70-1
CAS Name: 2-[methyl-[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]acetic acid
OPENEYE Name: 2-[methyl-[(E)-3-(3-pyridyl)prop-2-enoyl]amino]acetic acid
IUPAC Name: 2-[methyl-[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[methyl-[(E)-3-pyridin-3-ylprop-2-enoyl]amino]ethanoic acid
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: CN(CC(=O)O)C(=O)/C=C/C1=CN=CC=C1
Structure:
CAS RN: 73819-37-1
CAS Name: 2-[5-[(E)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-5-benzofuranyl]ethenyl]-2-benzofuranyl]-4,5-dihydro-1H-imidazole
OPENEYE Name: 2-[5-[(E)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)benzofuran-5-yl]vinyl]benzofuran-2-yl]-4,5-dihydro-1H-imidazole
IUPAC Name: 2-[5-[(E)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]ethenyl]-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-[5-[(E)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]ethenyl]-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C24H20N4O2
MOLECULAR WEIGHT: 396.4412
SMILES: C1CN=C(N1)C2=CC3=C(O2)C=CC(=C3)/C=C/C4=CC5=C(C=C4)OC(=C5)C6=NCCN6
Structure:
CAS RN: 73819-38-2
CAS Name: 2-[5-[(1E,3E)-4-[2-(4,5-dihydro-1H-imidazol-2-yl)-5-benzofuranyl]buta-1,3-dienyl]-2-benzofuranyl]-4,5-dihydro-1H-imidazole
OPENEYE Name: 2-[5-[(1E,3E)-4-[2-(4,5-dihydro-1H-imidazol-2-yl)benzofuran-5-yl]buta-1,3-dienyl]benzofuran-2-yl]-4,5-dihydro-1H-imidazole
IUPAC Name: 2-[5-[(1E,3E)-4-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]buta-1,3-dienyl]-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-[5-[(1E,3E)-4-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]buta-1,3-dienyl]-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C26H22N4O2
MOLECULAR WEIGHT: 422.47848
SMILES: C1NC(=NC1)C2=CC3=C(O2)C=CC(=C3)/C=C/C=C/C4=CC5=C(OC(=C5)C6=NCCN6)C=C4
Structure:
CAS RN: 73819-62-2
CAS Name: 2-[4-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-benzofuranyl]ethenyl]phenoxy]phenyl]-4,5-dihydro-1H-imidazole
OPENEYE Name: 2-[4-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)benzofuran-2-yl]vinyl]phenoxy]phenyl]-4,5-dihydro-1H-imidazole
IUPAC Name: 2-[4-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]phenoxy]phenyl]-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-[4-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]phenoxy]phenyl]-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C28H24N4O2
MOLECULAR WEIGHT: 448.51576
SMILES: C1CN=C(N1)C2=CC=C(C=C2)OC3=CC=C(C=C3)/C=C/C4=CC5=C(O4)C=CC(=C5)C6=NCCN6
Structure:
CAS RN: 80893-93-2
CAS Name: 1-ethyl-4-[(1E,3Z,5Z)-1-(1-ethyl-4-quinolin-1-iumyl)-5-(1-ethyl-4-quinolinylidene)penta-1,3-dien-3-yl]quinolin-1-ium dichloride
OPENEYE Name: 1-ethyl-4-[(Z,3Z)-1-[(E)-2-(1-ethylquinolin-1-ium-4-yl)vinyl]-3-(1-ethyl-4-quinolylidene)prop-1-enyl]quinolin-1-ium dichloride
IUPAC Name: 1-ethyl-4-[(1E,3Z,5Z)-1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium dichloride
SYSTEMATIC NAME: 1-ethyl-4-[(1E,3Z,5Z)-1-(1-ethylquinolin-1-ium-4-yl)-5-(1-ethylquinolin-4-ylidene)penta-1,3-dien-3-yl]quinolin-1-ium dichloride
MOLECULAR FORMULA: C38H37Cl2N3
MOLECULAR WEIGHT: 606.62648
SMILES: CCN1C=C/C(=C/C=C(/C=C/C2=CC=[N+](C3=CC=CC=C23)CC)\C4=CC=[N+](C5=CC=CC=C45)CC)/C6=CC=CC=C61.[Cl-].[Cl-]
Structure:
CAS RN: 63024-98-6
CAS Name: (10Z,12E)-hexadeca-10,12-dienal
OPENEYE Name: (10Z,12E)-hexadeca-10,12-dienal
IUPAC Name: (10Z,12E)-hexadeca-10,12-dienal
SYSTEMATIC NAME: (10Z,12E)-hexadeca-10,12-dienal
MOLECULAR FORMULA: C16H28O
MOLECULAR WEIGHT: 236.39292
SMILES: CCC/C=C/C=C\CCCCCCCCC=O
Structure:
CAS RN: 90274-22-9
CAS Name: (11Z)-11-[2-(4-methyl-1-piperazinyl)-2-oxoethylidene]-5H-benzo[c][1]benzazepin-6-one
OPENEYE Name: (11Z)-11-[2-(4-methylpiperazin-1-yl)-2-oxo-ethylidene]-5H-benzo[c][1]benzazepin-6-one
IUPAC Name: (11Z)-11-[2-(4-methylpiperazin-1-yl)-2-oxoethylidene]-5H-benzo[c][1]benzazepin-6-one
SYSTEMATIC NAME: (11Z)-11-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethylidene]-5H-benzo[c][1]benzazepin-6-one
MOLECULAR FORMULA: C21H21N3O2
MOLECULAR WEIGHT: 347.41034
SMILES: CN1CCN(CC1)C(=O)/C=C\2/C3=CC=CC=C3C(=O)NC4=CC=CC=C42
Structure:
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