CAS RN: 97241-91-3
CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-penten-3-one dihydrochloride
OPENEYE Name: (E)-1-(1,3-benzodioxol-5-yl)-5-(dimethylamino)-4-[(dimethylamino)methyl]pent-1-en-3-one dihydrochloride
IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-5-(dimethylamino)-4-[(dimethylamino)methyl]pent-1-en-3-one dihydrochloride
SYSTEMATIC NAME: (E)-1-(1,3-benzodioxol-5-yl)-5-(dimethylamino)-4-[(dimethylamino)methyl]pent-1-en-3-one dihydrochloride
MOLECULAR FORMULA: C17H26Cl2N2O3
MOLECULAR WEIGHT: 377.30594
SMILES: CN(C)CC(CN(C)C)C(=O)/C=C/C1=CC2=C(C=C1)OCO2.Cl.Cl
Structure:
CAS RN: 104775-16-8
CAS Name: 3-[[[(Z)-(3-chloro-5-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-(4-chlorophenyl)methyl]amino]methyl]-3-ethylpentanoic acid
OPENEYE Name: 3-[[[(Z)-(3-chloro-5-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-(4-chlorophenyl)methyl]amino]methyl]-3-ethyl-pentanoic acid
IUPAC Name: 3-[[[(Z)-(3-chloro-5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-(4-chlorophenyl)methyl]amino]methyl]-3-ethylpentanoic acid
SYSTEMATIC NAME: 3-[[[(Z)-(3-chloranyl-5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-(4-chlorophenyl)methyl]amino]methyl]-3-ethyl-pentanoic acid
MOLECULAR FORMULA: C22H25Cl2NO3
MOLECULAR WEIGHT: 422.3448
SMILES: CCC(CC)(CC(=O)O)CN/C(=C\1/C=C(C=C(C1=O)C)Cl)/C2=CC=C(C=C2)Cl
Structure:
CAS RN: 104192-46-3
CAS Name: 1,5-bis(4-hexoxyphenyl)pentane-1,5-dione oxime
OPENEYE Name: 1,5-bis(4-hexoxyphenyl)pentane-1,5-dione oxime
IUPAC Name: (NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyimino-pentylidene]hydroxylamine
MOLECULAR FORMULA: C29H42N2O4
MOLECULAR WEIGHT: 482.65478
SMILES: CCCCCCOC1=CC=C(C=C1)/C(=N\O)/CCC/C(=N/O)/C2=CC=C(C=C2)OCCCCCC
Structure:
CAS RN: 122129-97-9
CAS Name: (2E,4Z)-3-(2,2-dimethoxyethyl)-2,4-bis(hydroxymethylidene)pentanedial
OPENEYE Name: (2E,4Z)-3-(2,2-dimethoxyethyl)-2,4-bis(hydroxymethylene)pentanedial
IUPAC Name: (2E,4Z)-3-(2,2-dimethoxyethyl)-2,4-bis(hydroxymethylidene)pentanedial
SYSTEMATIC NAME: (2E,4Z)-3-(2,2-dimethoxyethyl)-2,4-bis(oxidanylmethylidene)pentanedial
MOLECULAR FORMULA: C11H16O6
MOLECULAR WEIGHT: 244.24114
SMILES: COC(CC(/C(=C/O)/C=O)/C(=C\O)/C=O)OC
Structure:
CAS RN: 8002-76-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H62ClN3O10
MOLECULAR WEIGHT: 960.54788
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)OC3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Structure:
CAS RN: 96059-01-7
CAS Name: 3-[(E)-(5-nitro-2-furanyl)methylideneamino]-5-[(4-octyl-1-piperazinyl)methyl]-2-oxazolidinone dihydrochloride
OPENEYE Name: 3-[(E)-(5-nitro-2-furyl)methyleneamino]-5-[(4-octylpiperazin-1-yl)methyl]oxazolidin-2-one dihydrochloride
IUPAC Name: 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-[(4-octylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one dihydrochloride
SYSTEMATIC NAME: 3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-[(4-octylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one dihydrochloride
MOLECULAR FORMULA: C21H35Cl2N5O5
MOLECULAR WEIGHT: 508.4391
SMILES: CCCCCCCCN1CCN(CC1)CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-].Cl.Cl
Structure:
CAS RN: 97619-17-5
CAS Name: iodomethane; 5-(4-morpholinylmethyl)-3-[(E)-[2-(5-nitro-2-furanyl)-2-oxoethylidene]amino]-2-oxazolidinone
OPENEYE Name: iodomethane; 5-(morpholinomethyl)-3-[(E)-[2-(5-nitro-2-furyl)-2-oxo-ethylidene]amino]oxazolidin-2-one
IUPAC Name: iodomethane; 5-(morpholin-4-ylmethyl)-3-[(E)-[2-(5-nitrofuran-2-yl)-2-oxoethylidene]amino]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: iodanylmethane; 5-(morpholin-4-ylmethyl)-3-[(E)-[2-(5-nitrofuran-2-yl)-2-oxidanylidene-ethylidene]amino]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C15H19IN4O7
MOLECULAR WEIGHT: 494.23843
SMILES: CI.C1COCCN1CC2CN(C(=O)O2)/N=C/C(=O)C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 89844-67-7
CAS Name: (5E)-3-(2-chlorophenyl)-2-imino-5-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxazolidinone
OPENEYE Name: (5E)-3-(2-chlorophenyl)-2-imino-5-[2-(4-methoxyphenyl)-2-oxo-ethylidene]oxazolidin-4-one
IUPAC Name: (5E)-3-(2-chlorophenyl)-2-imino-5-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-oxazolidin-4-one
SYSTEMATIC NAME: (5E)-2-azanylidene-3-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethylidene]-1,3-oxazolidin-4-one
MOLECULAR FORMULA: C18H13ClN2O4
MOLECULAR WEIGHT: 356.75982
SMILES: COC1=CC=C(C=C1)C(=O)/C=C/2\C(=O)N(C(=N)O2)C3=CC=CC=C3Cl
Structure:
CAS RN: 104317-86-4
CAS Name: 1-(1,5-oxazocan-5-yl)-3-(propan-2-ylamino)-2-propanol dihydrochloride
OPENEYE Name: 1-(isopropylamino)-3-(1,5-oxazocan-5-yl)propan-2-ol dihydrochloride
IUPAC Name: 1-(1,5-oxazocan-5-yl)-3-(propan-2-ylamino)propan-2-ol dihydrochloride
SYSTEMATIC NAME: 1-(1,5-oxazocan-5-yl)-3-(propan-2-ylamino)propan-2-ol dihydrochloride
MOLECULAR FORMULA: C12H28Cl2N2O2
MOLECULAR WEIGHT: 303.26892
SMILES: CC(C)NCC(CN1CCCOCCC1)O.Cl.Cl
Structure:
CAS RN: 103958-41-4
CAS Name: 1-[(3S,6R)-6-methyl-3-phenyl-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone
OPENEYE Name: 1-[(3S,6R)-6-methyl-3-phenyl-5-thioxo-1,2,4-oxadiazinan-2-yl]ethanone
IUPAC Name: 1-[(3S,6R)-6-methyl-3-phenyl-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,6R)-6-methyl-3-phenyl-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone
MOLECULAR FORMULA: C12H14N2O2S
MOLECULAR WEIGHT: 250.31676
SMILES: C[C@@H]1C(=S)N[C@@H](N(O1)C(=O)C)C2=CC=CC=C2
Structure:
CAS RN: 103900-00-1
CAS Name: 1-[(3R,6S)-6-methyl-3-phenyl-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone
OPENEYE Name: 1-[(3R,6S)-6-methyl-3-phenyl-5-thioxo-1,2,4-oxadiazinan-2-yl]ethanone
IUPAC Name: 1-[(3R,6S)-6-methyl-3-phenyl-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone
SYSTEMATIC NAME: 1-[(3R,6S)-6-methyl-3-phenyl-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone
MOLECULAR FORMULA: C12H14N2O2S
MOLECULAR WEIGHT: 250.31676
SMILES: C[C@H]1C(=S)N[C@H](N(O1)C(=O)C)C2=CC=CC=C2
Structure:
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