CAS RN: 18180-88-6
CAS Name: (Z)-2-butenedioic acid; 2-[4-[3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propyl]-1-piperazinyl]ethanol
OPENEYE Name: 2-[4-[3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propyl]piperazin-1-yl]ethanol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 2-[4-[3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propyl]piperazin-1-yl]ethanol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 2-[4-[3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)propyl]piperazin-1-yl]ethanol
MOLECULAR FORMULA: C36H45N3O13
MOLECULAR WEIGHT: 727.7548
SMILES: C1N(CCN(C1)CCO)CCCN2CC3=CC=CC=C3CC4=CC=CC=C4C2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 18180-87-5
CAS Name: (Z)-2-butenedioic acid; 11-[3-(4-methyl-1-piperazinyl)propyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
OPENEYE Name: maleic acid; 11-[3-(4-methylpiperazin-1-yl)propyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
IUPAC Name: (Z)-but-2-enedioic acid; 11-[3-(4-methylpiperazin-1-yl)propyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 11-[3-(4-methylpiperazin-1-yl)propyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
MOLECULAR FORMULA: C35H43N3O12
MOLECULAR WEIGHT: 697.72882
SMILES: CN1CCN(CC1)CCCN2CC3=CC=CC=C3CC4=CC=CC=C4C2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 18180-86-4
CAS Name: (Z)-2-butenedioic acid; 1-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-dimethyl-2-propanamine
OPENEYE Name: 1-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-dimethyl-propan-2-amine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-dimethylpropan-2-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-dimethyl-propan-2-amine
MOLECULAR FORMULA: C24H30N2O4
MOLECULAR WEIGHT: 410.506
SMILES: CC(CN1CC2=CC=CC=C2CC3=CC=CC=C3C1)N(C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 18180-85-3
CAS Name: (Z)-2-butenedioic acid; 3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-dimethyl-1-propanamine
OPENEYE Name: 3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-dimethyl-propan-1-amine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C28H34N2O8
MOLECULAR WEIGHT: 526.57816
SMILES: CN(CCCN1CC2=CC=CC=C2CC3=CC=CC=C3C1)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 17929-96-3
CAS Name: (E)-2-butenedioic acid; 2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylethanamine
OPENEYE Name: fumaric acid; 2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethyl-ethanamine
IUPAC Name: (E)-but-2-enedioic acid; 2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C22H30N2O4
MOLECULAR WEIGHT: 386.4846
SMILES: CN(C)CCN1C2=C(CCCCCC2)C3=CC=CC=C31.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 17929-04-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H28N2O5
MOLECULAR WEIGHT: 448.51092
SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC3C4=C(C=CC5=CC=CC=C35)N=CC=C4.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 17863-72-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H59N3O14
MOLECULAR WEIGHT: 853.95096
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C)N5CCOCC5)\C
Structure:
CAS RN: 17863-71-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H62N2O13
MOLECULAR WEIGHT: 850.99008
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C)C5CCCCC5)\C
Structure:
CAS RN: 17756-85-3
CAS Name: (Z)-2-butenedioic acid; N-methyl-1-(4-pentylphenyl)-2-propanamine
OPENEYE Name: maleic acid; N-methyl-1-(4-pentylphenyl)propan-2-amine
IUPAC Name: (Z)-but-2-enedioic acid; N-methyl-1-(4-pentylphenyl)propan-2-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N-methyl-1-(4-pentylphenyl)propan-2-amine
MOLECULAR FORMULA: C19H29NO4
MOLECULAR WEIGHT: 335.43786
SMILES: CCCCCC1=CC=C(C=C1)CC(C)NC.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 17730-81-3
CAS Name: 1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-propanone hydrochloride
OPENEYE Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]propan-1-one hydrochloride
IUPAC Name: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one hydrochloride
SYSTEMATIC NAME: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one hydrochloride
MOLECULAR FORMULA: C16H23ClN2O
MOLECULAR WEIGHT: 294.81962
SMILES: CCC(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2.Cl
Structure:
CAS RN: 17730-62-0
CAS Name: 1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-pentanone hydrochloride
OPENEYE Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]pentan-1-one hydrochloride
IUPAC Name: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one hydrochloride
SYSTEMATIC NAME: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one hydrochloride
MOLECULAR FORMULA: C18H27ClN2O
MOLECULAR WEIGHT: 322.87278
SMILES: CCCCC(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2.Cl
Structure:
CAS RN: 17730-61-9
CAS Name: 2-methyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-propanone hydrochloride
OPENEYE Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-2-methyl-propan-1-one hydrochloride
IUPAC Name: 2-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one hydrochloride
SYSTEMATIC NAME: 2-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one hydrochloride
MOLECULAR FORMULA: C17H25ClN2O
MOLECULAR WEIGHT: 308.8462
SMILES: CC(C)C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2.Cl
Structure:
CAS RN: 17711-13-6
CAS Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxynon-1-enyl]-5-oxocyclopentyl]heptanoic acid
OPENEYE Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxynon-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxynon-1-enyl]-5-oxocyclopentyl]heptanoic acid
SYSTEMATIC NAME: 7-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanylnon-1-enyl]cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C21H36O5
MOLECULAR WEIGHT: 368.50754
SMILES: CCCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
Structure:
CAS RN: 17607-53-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H60N2O12
MOLECULAR WEIGHT: 808.9534
SMILES: CC1CCCN(C1)CC2=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
Structure:
CAS RN: 17607-50-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H67N3O13
MOLECULAR WEIGHT: 882.04718
SMILES: CCCCN(C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)N(CC)CC
Structure:
CAS RN: 17607-48-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H59N3O13
MOLECULAR WEIGHT: 825.94086
SMILES: CCN(C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)N(C)C
Structure:
CAS RN: 17607-42-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H66N2O13
MOLECULAR WEIGHT: 867.03254
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C(C)(C)C)C(C)(C)C)\C
Structure:
CAS RN: 17607-41-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H60N2O13
MOLECULAR WEIGHT: 836.9635
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C)C5CCCC5)\C
Structure:
CAS RN: 17607-40-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H58N2O13
MOLECULAR WEIGHT: 858.96902
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C)CC5=CC=CC=C5)\C
Structure:
CAS RN: 17607-39-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C53H62N2O13
MOLECULAR WEIGHT: 935.06498
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(CC5=CC=CC=C5)CC6=CC=CC=C6)\C
Structure:
CAS RN: 17607-34-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H56N2O13
MOLECULAR WEIGHT: 796.89964
SMILES: CCN(C)C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
Structure:
CAS RN: 17607-33-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H54N2O13
MOLECULAR WEIGHT: 782.87306
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C)C)\C
Structure:
CAS RN: 17555-83-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H58N2O12
MOLECULAR WEIGHT: 794.92682
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(=C2NC5CCCCC5)O)O)\C
Structure:
CAS RN: 17555-82-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H52N2O12
MOLECULAR WEIGHT: 752.84708
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(=C2NC5CC5)O)O)\C
Structure:
CAS RN: 17555-11-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H58N2O13
MOLECULAR WEIGHT: 810.92622
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(=C2N(C)CC5CCCO5)O)O)\C
Structure:
CAS RN: 17555-08-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H57N3O12
MOLECULAR WEIGHT: 795.91488
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(=C2N5CCN(CC5)C)O)O)\C
Structure:
CAS RN: 17164-74-8
CAS Name: (Z)-2-bromo-3-(5-nitro-2-thiophenyl)-2-propenal
OPENEYE Name: (Z)-2-bromo-3-(5-nitro-2-thienyl)prop-2-enal
IUPAC Name: (Z)-2-bromo-3-(5-nitrothiophen-2-yl)prop-2-enal
SYSTEMATIC NAME: (Z)-2-bromanyl-3-(5-nitrothiophen-2-yl)prop-2-enal
MOLECULAR FORMULA: C7H4BrNO3S
MOLECULAR WEIGHT: 262.08056
SMILES: C1=C(SC(=C1)[N+](=O)[O-])/C=C(/C=O)\Br
Structure:
CAS RN: 17089-54-2
CAS Name: trimethyl-[[2-[(E)-2-[4-[(trimethylammonio)methyl]-1,3-dioxolan-2-yl]ethenyl]-1,3-dioxolan-4-yl]methyl]ammonium diiodide
OPENEYE Name: trimethyl-[[2-[(E)-2-[4-[(trimethylammonio)methyl]-1,3-dioxolan-2-yl]vinyl]-1,3-dioxolan-4-yl]methyl]ammonium diiodide
IUPAC Name: trimethyl-[[2-[(E)-2-[4-[(trimethylazaniumyl)methyl]-1,3-dioxolan-2-yl]ethenyl]-1,3-dioxolan-4-yl]methyl]azanium diiodide
SYSTEMATIC NAME: trimethyl-[[2-[(E)-2-[4-[(trimethylazaniumyl)methyl]-1,3-dioxolan-2-yl]ethenyl]-1,3-dioxolan-4-yl]methyl]azanium diiodide
MOLECULAR FORMULA: C16H32I2N2O4
MOLECULAR WEIGHT: 570.24522
SMILES: C[N+](C)(C)CC1COC(O1)/C=C/C2OCC(O2)C[N+](C)(C)C.[I-].[I-]
Structure:
CAS RN: 17039-23-5
CAS Name: 1-methyl-1-[[2-[(E)-2-[4-[(1-methyl-1-piperidin-1-iumyl)methyl]-1,3-dioxolan-2-yl]ethenyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium diiodide
OPENEYE Name: 1-methyl-1-[[2-[(E)-2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]vinyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium diiodide
IUPAC Name: 1-methyl-1-[[2-[(E)-2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethenyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium diiodide
SYSTEMATIC NAME: 1-methyl-1-[[2-[(E)-2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethenyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium diiodide
MOLECULAR FORMULA: C22H40I2N2O4
MOLECULAR WEIGHT: 650.37294
SMILES: C[N+]1(CCCCC1)CC2COC(O2)/C=C/C3OCC(O3)C[N+]4(CCCCC4)C.[I-].[I-]
Structure:
CAS RN: 17021-66-8
CAS Name: (Z)-2-butenedioic acid; 1-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-4-methylpiperazine
OPENEYE Name: 1-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-4-methyl-piperazine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-4-methylpiperazine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-(6,11-dihydrobenzo[c][1]benzoxepin-11-yl)-4-methyl-piperazine
MOLECULAR FORMULA: C23H26N2O5
MOLECULAR WEIGHT: 410.46294
SMILES: CN1CCN(CC1)C2C3=CC=CC=C3COC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 16926-66-2
CAS Name: (Z)-2-butenedioic acid; 1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
OPENEYE Name: maleic acid; 1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
IUPAC Name: (Z)-but-2-enedioic acid; 1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-methyl-4-(6-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
MOLECULAR FORMULA: C24H28N2O4S
MOLECULAR WEIGHT: 440.55512
SMILES: CC1C(C2=CC=CC=C2SC3=CC=CC=C13)N4CCN(CC4)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 16926-57-1
CAS Name: (E)-2-butenedioic acid; 5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide
OPENEYE Name: fumaric acid; 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
IUPAC Name: (E)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
MOLECULAR FORMULA: C23H26N2O5S
MOLECULAR WEIGHT: 442.52794
SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 16926-56-0
CAS Name: (Z)-2-butenedioic acid; 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methylpiperidine
OPENEYE Name: 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-piperidine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methylpiperidine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methyl-piperidine
MOLECULAR FORMULA: C24H27NO4S
MOLECULAR WEIGHT: 425.54048
SMILES: CN1CCC(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 16926-55-9
CAS Name: (Z)-2-butenedioic acid; 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-piperidinol
OPENEYE Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperidin-4-ol; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperidin-4-ol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperidin-4-ol
MOLECULAR FORMULA: C23H25NO5S
MOLECULAR WEIGHT: 427.5133
SMILES: C1CN(CCC1O)C2CC3=CC=CC=C3SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 16926-53-7
CAS Name: (E)-2-butenedioic acid; 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(phenylmethyl)piperazine
OPENEYE Name: 1-benzyl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; fumaric acid
IUPAC Name: 1-benzyl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; (E)-but-2-enedioic acid
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(phenylmethyl)piperazine
MOLECULAR FORMULA: C29H30N2O4S
MOLECULAR WEIGHT: 502.6245
SMILES: C1CN(CCN1CC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 16926-50-4
CAS Name: acetic acid 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]propyl ester; (Z)-2-butenedioic acid
OPENEYE Name: 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl acetate; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl acetate
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl ethanoate
MOLECULAR FORMULA: C31H36N2O10S
MOLECULAR WEIGHT: 628.68994
SMILES: CC(=O)OCCCN1CCN(CC1)C2C3=CC=CC=C3SC4=CC=CC=C4C2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 16926-49-1
CAS Name: (E)-2-butenedioic acid; 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-1-propanol
OPENEYE Name: 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
MOLECULAR FORMULA: C25H30N2O5S
MOLECULAR WEIGHT: 470.5811
SMILES: C1CN(CCN1CCCO)C2CC3=CC=CC=C3SC4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 16926-45-7
CAS Name: (Z)-2-butenedioic acid; 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinamine
OPENEYE Name: 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-amine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-amine
MOLECULAR FORMULA: C22H25N3O4S
MOLECULAR WEIGHT: 427.5166
SMILES: C1CN(CCN1C2CC3=CC=CC=C3SC4=CC=CC=C24)N.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 16899-72-2
CAS Name: aluminum (2E,4E)-hexa-2,4-dienoate
OPENEYE Name: aluminum (2E,4E)-hexa-2,4-dienoate
IUPAC Name: aluminum (2E,4E)-hexa-2,4-dienoate
SYSTEMATIC NAME: aluminum (2E,4E)-hexa-2,4-dienoate
MOLECULAR FORMULA: C18H21AlO6
MOLECULAR WEIGHT: 360.337278
SMILES: C/C=C/C=C/C(=O)[O-].C/C=C/C=C/C(=O)[O-].C/C=C/C=C/C(=O)[O-].[Al+3]
Structure:
CAS RN: 16899-71-1
CAS Name: (2E,4E)-hexa-2,4-dienoic acid cyclohexyl ester
OPENEYE Name: cyclohexyl (2E,4E)-hexa-2,4-dienoate
IUPAC Name: cyclohexyl (2E,4E)-hexa-2,4-dienoate
SYSTEMATIC NAME: cyclohexyl (2E,4E)-hexa-2,4-dienoate
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: C/C=C/C=C/C(=O)OC1CCCCC1
Structure:
CAS RN: 16784-10-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H58N2O13
MOLECULAR WEIGHT: 810.92622
SMILES: CCCN(C)C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
Structure:
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