CAS RN: 40019-71-4
CAS Name: 4,5-dimethyl-2-[(E)-2-(5-nitro-2-furanyl)ethenyl]thiazole
OPENEYE Name: 4,5-dimethyl-2-[(E)-2-(5-nitro-2-furyl)vinyl]thiazole
IUPAC Name: 4,5-dimethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazole
SYSTEMATIC NAME: 4,5-dimethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazole
MOLECULAR FORMULA: C11H10N2O3S
MOLECULAR WEIGHT: 250.2737
SMILES: CC1=C(SC(=N1)/C=C/C2=CC=C(O2)[N+](=O)[O-])C
Structure:
CAS RN: 39948-11-3
CAS Name: (E)-2-butenedioic acid; N-propyl-2-[4-(4-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepin]ylmethyl)-1-piperazinyl]acetamide
OPENEYE Name: fumaric acid; N-propyl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]acetamide
IUPAC Name: (E)-but-2-enedioic acid; N-propyl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]acetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-propyl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C34H41N3O12
MOLECULAR WEIGHT: 683.70224
SMILES: CCCNC(=O)CN1CCN(CC1)CC2OC3(OC2)C4=CC=CC=C4OCC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39901-44-5
CAS Name: (E)-4-oxo-4-(2,3,4-trimethoxyphenyl)-2-butenoic acid
OPENEYE Name: (E)-4-oxo-4-(2,3,4-trimethoxyphenyl)but-2-enoic acid
IUPAC Name: (E)-4-oxo-4-(2,3,4-trimethoxyphenyl)but-2-enoic acid
SYSTEMATIC NAME: (E)-4-oxidanylidene-4-(2,3,4-trimethoxyphenyl)but-2-enoic acid
MOLECULAR FORMULA: C13H14O6
MOLECULAR WEIGHT: 266.24666
SMILES: COC1=C(C(=C(C=C1)C(=O)/C=C/C(=O)O)OC)OC
Structure:
CAS RN: 39890-29-4
CAS Name: 1-(1-azepanyl)-2-[4-(4-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepin]ylmethyl)-1-piperazinyl]ethanone; (E)-2-butenedioic acid
OPENEYE Name: 1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone; fumaric acid
IUPAC Name: 1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C37H45N3O12
MOLECULAR WEIGHT: 723.7661
SMILES: C1CCN(CCC1)C(=O)CN2CCN(CC2)CC3OC4(OC3)C5=CC=CC=C5OCC6=CC=CC=C46.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39890-28-3
CAS Name: (E)-2-butenedioic acid; 1-(4-morpholinyl)-2-[4-(4-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepin]ylmethyl)-1-piperazinyl]ethanone
OPENEYE Name: fumaric acid; 1-morpholino-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone
IUPAC Name: (E)-but-2-enedioic acid; 1-morpholin-4-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-morpholin-4-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone
MOLECULAR FORMULA: C35H41N3O13
MOLECULAR WEIGHT: 711.71234
SMILES: C1N(CCN(C1)CC(=O)N2CCOCC2)CC3OC4(OC3)C5=CC=CC=C5OCC6=CC=CC=C46.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39890-27-2
CAS Name: (E)-2-butenedioic acid; 1-(1-pyrrolidinyl)-2-[4-(4-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepin]ylmethyl)-1-piperazinyl]ethanone
OPENEYE Name: fumaric acid; 1-pyrrolidin-1-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone
IUPAC Name: (E)-but-2-enedioic acid; 1-pyrrolidin-1-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-pyrrolidin-1-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone
MOLECULAR FORMULA: C35H41N3O12
MOLECULAR WEIGHT: 695.71294
SMILES: C1CN(CC1)C(=O)CN2CCN(CC2)CC3OC4(OC3)C5=CC=CC=C5OCC6=CC=CC=C46.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39890-26-1
CAS Name: (E)-2-butenedioic acid; N,N-dipropyl-2-[4-(4-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepin]ylmethyl)-1-piperazinyl]acetamide
OPENEYE Name: N,N-dipropyl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]acetamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-dipropyl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]acetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-dipropyl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C37H47N3O12
MOLECULAR WEIGHT: 725.78198
SMILES: CCCN(C(=O)CN1CCN(CC1)CC2OC3(OC2)C4=CC=CC=C4OCC5=CC=CC=C35)CCC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39890-25-0
CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-2-[4-(4-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepin]ylmethyl)-1-piperazinyl]acetamide
OPENEYE Name: N,N-dimethyl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]acetamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]acetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-dimethyl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C33H39N3O12
MOLECULAR WEIGHT: 669.67566
SMILES: CN(C(=O)CN1CCN(CC1)CC2OC3(OC2)C4=CC=CC=C4OCC5=CC=CC=C35)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39890-24-9
CAS Name: (E)-2-butenedioic acid; N-propan-2-yl-2-[4-(4-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepin]ylmethyl)-1-piperazinyl]acetamide
OPENEYE Name: fumaric acid; N-isopropyl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]acetamide
IUPAC Name: (E)-but-2-enedioic acid; N-propan-2-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]acetamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N-propan-2-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanamide
MOLECULAR FORMULA: C34H41N3O12
MOLECULAR WEIGHT: 683.70224
SMILES: CC(NC(=O)CN1CCN(CC1)CC2OC3(OC2)C4=CC=CC=C4OCC5=CC=CC=C35)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39890-22-7
CAS Name: (Z)-2-butenedioic acid; 3-[4-(4-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepin]ylmethyl)-1-piperazinyl]propane-1,2-diol
OPENEYE Name: maleic acid; 3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol
IUPAC Name: (Z)-but-2-enedioic acid; 3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol
MOLECULAR FORMULA: C32H38N2O13
MOLECULAR WEIGHT: 658.64972
SMILES: C1N(CCN(C1)CC(O)CO)CC2OC3(OC2)C4=CC=CC=C4OCC5=CC=CC=C35.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 39890-21-6
CAS Name: (E)-2-butenedioic acid; 1-methyl-4-(4-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepin]ylmethyl)piperazine
OPENEYE Name: fumaric acid; 1-methyl-4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazine
IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-methyl-4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazine
MOLECULAR FORMULA: C30H34N2O11
MOLECULAR WEIGHT: 598.59776
SMILES: CN1CCN(CC1)CC2OC3(OC2)C4=CC=CC=C4OCC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39890-18-1
CAS Name: (E)-2-butenedioic acid; 1-(4-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepin]ylmethyl)piperidine
OPENEYE Name: fumaric acid; 1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperidine
IUPAC Name: (E)-but-2-enedioic acid; 1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperidine
MOLECULAR FORMULA: C26H29NO7
MOLECULAR WEIGHT: 467.51096
SMILES: C1CCN(CC1)CC2COC3(O2)C4=CC=CC=C4COC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39890-17-0
CAS Name: (E)-2-butenedioic acid; 1-(4-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepin]ylmethyl)pyrrolidine
OPENEYE Name: fumaric acid; 1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)pyrrolidine
IUPAC Name: (E)-but-2-enedioic acid; 1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)pyrrolidine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)pyrrolidine
MOLECULAR FORMULA: C25H27NO7
MOLECULAR WEIGHT: 453.48438
SMILES: C1CCN(C1)CC2COC3(O2)C4=CC=CC=C4COC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39890-14-7
CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-1-(4-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepin]yl)methanamine
OPENEYE Name: N,N-dimethyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl-methanamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-dimethyl-1-spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-yl-methanamine
MOLECULAR FORMULA: C23H25NO7
MOLECULAR WEIGHT: 427.4471
SMILES: CN(C)CC1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39890-02-3
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
MOLECULAR FORMULA: C27H31ClN2O6S
MOLECULAR WEIGHT: 547.06284
SMILES: C1CN(CCN1CCC2OCCO2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39890-00-1
CAS Name: (E)-2-butenedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine
MOLECULAR FORMULA: C28H33ClN2O6S
MOLECULAR WEIGHT: 561.08942
SMILES: C1COC(OC1)CCN2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39889-99-1
CAS Name: (E)-2-butenedioic acid; 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
OPENEYE Name: 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
MOLECULAR FORMULA: C28H34N2O6S2
MOLECULAR WEIGHT: 558.70936
SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCC5OCCO5.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39841-96-8
CAS Name: (E)-2-butenedioic acid; 1-methyl-4-[3-(methylseleno)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
OPENEYE Name: fumaric acid; 1-methyl-4-(3-methylselanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-(3-methylselanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-methyl-4-(3-methylselanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
MOLECULAR FORMULA: C24H28N2O4SSe
MOLECULAR WEIGHT: 519.51512
SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)[Se]C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 39756-43-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24N4O4
MOLECULAR WEIGHT: 360.40756
SMILES: C1CN2C(=O)/C=C\C(=O)N(C(=O)/C=C\C2=O)CCCN3CCN(C1)CC3
Structure:
CAS RN: 39723-63-2
CAS Name: (11Z,15Z)-5-methyl-1,5,9-triazabicyclo[7.4.4]heptadeca-11,15-diene-10,13,14,17-tetrone; 3-phenylbenzene-1,2-disulfonic acid
OPENEYE Name: (11Z,15Z)-5-methyl-1,5,9-triazabicyclo[7.4.4]heptadeca-11,15-diene-10,13,14,17-tetrone; 3-phenylbenzene-1,2-disulfonic acid
IUPAC Name: (11Z,15Z)-5-methyl-1,5,9-triazabicyclo[7.4.4]heptadeca-11,15-diene-10,13,14,17-tetrone; 3-phenylbenzene-1,2-disulfonic acid
SYSTEMATIC NAME: (11Z,15Z)-5-methyl-1,5,9-triazabicyclo[7.4.4]heptadeca-11,15-diene-10,13,14,17-tetrone; 3-phenylbenzene-1,2-disulfonic acid
MOLECULAR FORMULA: C27H29N3O10S2
MOLECULAR WEIGHT: 619.66326
SMILES: CN1CCCN2C(=O)/C=C\C(=O)N(C(=O)/C=C\C2=O)CCC1.C1=CC=C(C=C1)C2=C(C(=CC=C2)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 39547-23-4
CAS Name: (Z)-2-butenedioic acid; 4-[2-(1-piperazinyl)-4-pyrido[3,2-d]pyrimidinyl]thiomorpholine
OPENEYE Name: maleic acid; 4-(2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)thiomorpholine
IUPAC Name: (Z)-but-2-enedioic acid; 4-(2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)thiomorpholine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 4-(2-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-yl)thiomorpholine
MOLECULAR FORMULA: C19H24N6O4S
MOLECULAR WEIGHT: 432.49666
SMILES: C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=CC=C3.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 39454-91-6
CAS Name: (23E,25E,27E,29E,31E,33E,35E)-22-[(4-amino-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-car
OPENEYE Name: (23E,25E,27E,29E,31E,33E,35E)-22-(4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-38-[6-(4-aminophenyl)-4-hydroxy-1,3-dimethyl-6-oxo-hexyl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptae
IUPAC Name: (23E,25E,27E,29E,31E,33E,35E)-22-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carbo
SYSTEMATIC NAME: (23E,25E,27E,29E,31E,33E,35E)-38-[7-(4-aminophenyl)-4-methyl-5-oxidanyl-7-oxidanylidene-heptan-2-yl]-22-[4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-37-methyl-10,12,14,18,20-pentakis(oxidanyl)-2,4,8,16-tetrakis(oxidanylidene)-1-oxacyclooctatriaconta-
MOLECULAR FORMULA: C59H84N2O18
MOLECULAR WEIGHT: 1109.30086
SMILES: CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC(C(C(CC(=O)CC(CC(CC(CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(CC(=O)C2=CC=C(C=C2)N)O)O)O)O)O)C(=O)O)O)OC3C(C(C(C(O3)C)O)N)O
Structure:
CAS RN: 39071-30-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H36O8
MOLECULAR WEIGHT: 488.56994
SMILES: C/C=C(\C)/C(=O)O[C@@]12C[C@H]([C@]3([C@H]([C@@H]1[C@@]2(C)COC(=O)C)C=C(C[C@]4([C@H]3C=C(C4=O)C)O)CO)O)C
Structure:
CAS RN: 38943-53-2
CAS Name: (E)-1-(3-oxazolidinyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-oxazolidin-3-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(1,3-oxazolidin-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(1,3-oxazolidin-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C15H19NO5
MOLECULAR WEIGHT: 293.31506
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCOC2
Structure:
CAS RN: 38924-75-3
CAS Name: 4-amino-N-[5-[(E)-3-[5-[(4-aminophenyl)sulfonylamino]-2,4-dimethoxyphenyl]-3-oxoprop-1-enyl]-2-methoxyphenyl]benzenesulfonamide
OPENEYE Name: 4-amino-N-[5-[(E)-3-[5-[(4-aminophenyl)sulfonylamino]-2,4-dimethoxy-phenyl]-3-oxo-prop-1-enyl]-2-methoxy-phenyl]benzenesulfonamide
IUPAC Name: 4-amino-N-[5-[(E)-3-[5-[(4-aminophenyl)sulfonylamino]-2,4-dimethoxyphenyl]-3-oxoprop-1-enyl]-2-methoxyphenyl]benzenesulfonamide
SYSTEMATIC NAME: N-[5-[(E)-3-[5-[(4-aminophenyl)sulfonylamino]-2,4-dimethoxy-phenyl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl]-4-azanyl-benzenesulfonamide
MOLECULAR FORMULA: C30H30N4O8S2
MOLECULAR WEIGHT: 638.7112
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2OC)OC)NS(=O)(=O)C3=CC=C(C=C3)N)NS(=O)(=O)C4=CC=C(C=C4)N
Structure:
CAS RN: 38924-74-2
CAS Name: 4-amino-N-[5-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]benzenesulfonamide
OPENEYE Name: 4-amino-N-[5-[(E)-3-(2,4-dimethoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl]benzenesulfonamide
IUPAC Name: 4-amino-N-[5-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl]benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-[5-[(E)-3-(2,4-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl]benzenesulfonamide
MOLECULAR FORMULA: C24H24N2O6S
MOLECULAR WEIGHT: 468.52216
SMILES: COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)N)OC
Structure:
CAS RN: 38924-73-1
CAS Name: 4-amino-N-[4-[(E)-3-[3-[(4-aminophenyl)sulfonylamino]phenyl]-3-oxoprop-1-enyl]phenyl]benzenesulfonamide
OPENEYE Name: 4-amino-N-[4-[(E)-3-[3-[(4-aminophenyl)sulfonylamino]phenyl]-3-oxo-prop-1-enyl]phenyl]benzenesulfonamide
IUPAC Name: 4-amino-N-[4-[(E)-3-[3-[(4-aminophenyl)sulfonylamino]phenyl]-3-oxoprop-1-enyl]phenyl]benzenesulfonamide
SYSTEMATIC NAME: N-[4-[(E)-3-[3-[(4-aminophenyl)sulfonylamino]phenyl]-3-oxidanylidene-prop-1-enyl]phenyl]-4-azanyl-benzenesulfonamide
MOLECULAR FORMULA: C27H24N4O5S2
MOLECULAR WEIGHT: 548.63326
SMILES: C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)C(=O)/C=C/C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)N
Structure:
CAS RN: 38924-72-0
CAS Name: 4-amino-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]benzenesulfonamide
OPENEYE Name: 4-amino-N-[4-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenyl]benzenesulfonamide
IUPAC Name: 4-amino-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl]benzenesulfonamide
MOLECULAR FORMULA: C21H18N2O3S
MOLECULAR WEIGHT: 378.44422
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)N
Structure:
CAS RN: 38791-51-4
CAS Name: (Z)-2-butenedioic acid; 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile
OPENEYE Name: 3-[2-hydroxy-3-(isopropylamino)propoxy]benzonitrile; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; 3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzenecarbonitrile
MOLECULAR FORMULA: C17H22N2O6
MOLECULAR WEIGHT: 350.36638
SMILES: CC(C)NCC(COC1=CC=CC(=C1)C#N)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 38651-98-8
CAS Name: 1-[4-[3-[[(E)-but-2-enyl]amino]-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
OPENEYE Name: 1-[4-[3-[[(E)-but-2-enyl]amino]-2-hydroxy-propoxy]phenyl]-3-cyclohexyl-urea
IUPAC Name: 1-[4-[3-[[(E)-but-2-enyl]amino]-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
SYSTEMATIC NAME: 1-[4-[3-[[(E)-but-2-enyl]amino]-2-oxidanyl-propoxy]phenyl]-3-cyclohexyl-urea
MOLECULAR FORMULA: C20H31N3O3
MOLECULAR WEIGHT: 361.47844
SMILES: C/C=C/CNCC(COC1=CC=C(C=C1)NC(=O)NC2CCCCC2)O
Structure:
CAS RN: 38601-55-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H53BrN2O13
MOLECULAR WEIGHT: 909.81192
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCC5=CC=C(C=C5)Br)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: 38546-31-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H72N2O13
MOLECULAR WEIGHT: 909.11228
SMILES: CCCCCCCCCCCCON/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: 38546-25-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H57N3O14
MOLECULAR WEIGHT: 887.96718
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NNC(=O)C5=CC=CC=C5CCO)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: 38327-40-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H54N2O13
MOLECULAR WEIGHT: 782.87306
SMILES: CCNC(=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: 38226-61-8
CAS Name: (E)-1-(2-naphthalenylsulfinyl)-2,4-diphenyl-3-buten-2-ol
OPENEYE Name: (E)-1-(2-naphthylsulfinyl)-2,4-diphenyl-but-3-en-2-ol
IUPAC Name: (E)-1-naphthalen-2-ylsulfinyl-2,4-diphenylbut-3-en-2-ol
SYSTEMATIC NAME: (E)-1-naphthalen-2-ylsulfinyl-2,4-diphenyl-but-3-en-2-ol
MOLECULAR FORMULA: C26H22O2S
MOLECULAR WEIGHT: 398.51668
SMILES: C1=CC=C(C=C1)/C=C/C(CS(=O)C2=CC3=CC=CC=C3C=C2)(C4=CC=CC=C4)O
Structure:
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