CAS RN: 93592-57-5
CAS Name: 7-chloro-5-(2-fluorophenyl)-1-(4-piperidinyl)-3H-1,4-benzodiazepin-2-one hydrobromide
OPENEYE Name: 7-chloro-5-(2-fluorophenyl)-1-(4-piperidyl)-3H-1,4-benzodiazepin-2-one hydrobromide
IUPAC Name: 7-chloro-5-(2-fluorophenyl)-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one hydrobromide
SYSTEMATIC NAME: 7-chloranyl-5-(2-fluorophenyl)-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one hydrobromide
MOLECULAR FORMULA: C20H20BrClFN3O
MOLECULAR WEIGHT: 452.747703
SMILES: C1CNCCC1N2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F.Br
Structure:
CAS RN: 93640-61-0
CAS Name: (5S,6R)-6-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
OPENEYE Name: (5S,6R)-6-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
IUPAC Name: (5S,6R)-6-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SYSTEMATIC NAME: (5S,6R)-6-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: C1C[C@@H]([C@@H](C2=CC=CC=C2C1)O)CO
Structure:
CAS RN: 93640-73-4
CAS Name: acetic acid [(5S,6S)-5-acetyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl] ester
OPENEYE Name: [(5S,6S)-5-acetoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl] acetate
IUPAC Name: [(5S,6S)-5-acetyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl] acetate
SYSTEMATIC NAME: [(5S,6S)-5-acetyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl] ethanoate
MOLECULAR FORMULA: C15H18O4
MOLECULAR WEIGHT: 262.30102
SMILES: CC(=O)O[C@H]1CCCC2=CC=CC=C2[C@@H]1OC(=O)C
Structure:
CAS RN: 93640-71-2
CAS Name: acetic acid [(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] ester
OPENEYE Name: [(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate
IUPAC Name: [(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] acetate
SYSTEMATIC NAME: [(5S,6S)-6-oxidanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] ethanoate
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: CC(=O)O[C@@H]1[C@H](CCCC2=CC=CC=C12)O
Structure:
CAS RN: 102147-04-6
CAS Name: 1-methyl-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinoline hydrochloride
OPENEYE Name: 1-methyl-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinoline hydrochloride
IUPAC Name: 1-methyl-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinoline hydrochloride
SYSTEMATIC NAME: 1-methyl-2,3,3a,4,5,6-hexahydro-1H-benzo[de]isoquinoline hydrochloride
MOLECULAR FORMULA: C13H18ClN
MOLECULAR WEIGHT: 223.74172
SMILES: CC1C2=CC=CC3=C2C(CCC3)CN1.Cl
Structure:
CAS RN: 102147-07-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H15ClN2
MOLECULAR WEIGHT: 294.7781
SMILES: C1=CC=C(C=C1)CNC2=NC3=CC=CC4=C3C2=CC=C4.Cl
Structure:
CAS RN: 102147-08-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H17ClN2
MOLECULAR WEIGHT: 308.80468
SMILES: C1=CC=C(C=C1)CCNC2=NC3=CC=CC4=C3C2=CC=C4.Cl
Structure:
CAS RN: 102146-99-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H25Cl2N3O2
MOLECULAR WEIGHT: 386.316
SMILES: C1COCCN1CCCNC2=NC3=CC=CC4=C3C2=CC=C4.O.Cl.Cl
Structure:
CAS RN: 102147-10-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H21Cl2N3O
MOLECULAR WEIGHT: 354.27414
SMILES: C1COCCN1CCNC2=NC3=CC=CC4=C3C2=CC=C4.Cl.Cl
Structure:
CAS RN: 102147-06-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H17ClN2
MOLECULAR WEIGHT: 260.76188
SMILES: CC(C)CNC1=NC2=CC=CC3=C2C1=CC=C3.Cl
Structure:
CAS RN: 97656-45-6
CAS Name: 3-[2-oxo-3-[1-(4-oxo-3,3-diphenylhexyl)-4-piperidinyl]-1-benzimidazolyl]propanenitrile
OPENEYE Name: 3-[2-oxo-3-[1-(4-oxo-3,3-diphenyl-hexyl)-4-piperidyl]benzimidazol-1-yl]propanenitrile
IUPAC Name: 3-[2-oxo-3-[1-(4-oxo-3,3-diphenylhexyl)piperidin-4-yl]benzimidazol-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[2-oxidanylidene-3-[1-(4-oxidanylidene-3,3-diphenyl-hexyl)piperidin-4-yl]benzimidazol-1-yl]propanenitrile
MOLECULAR FORMULA: C33H36N4O2
MOLECULAR WEIGHT: 520.66454
SMILES: CCC(=O)C(CCN1CCC(CC1)N2C3=CC=CC=C3N(C2=O)CCC#N)(C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 96233-55-5
CAS Name: (E)-2-butenedioic acid; 1-ethyl-5-(1-piperidinyl)-4,5,6,7-tetrahydrobenzimidazole
OPENEYE Name: 1-ethyl-5-(1-piperidyl)-4,5,6,7-tetrahydrobenzimidazole; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 1-ethyl-5-piperidin-1-yl-4,5,6,7-tetrahydrobenzimidazole
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 1-ethyl-5-piperidin-1-yl-4,5,6,7-tetrahydrobenzimidazole
MOLECULAR FORMULA: C26H35N3O12
MOLECULAR WEIGHT: 581.569
SMILES: CCN1C2=C(N=C1)CC(CC2)N3CCCCC3.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: 96224-17-8
CAS Name: (E)-2-butenedioic acid; 4-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)morpholine
OPENEYE Name: 4-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)morpholine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 4-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)morpholine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 4-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)morpholine
MOLECULAR FORMULA: C25H33N3O13
MOLECULAR WEIGHT: 583.54182
SMILES: CCN1C2=C(N=C1)CC(CC2)N3CCOCC3.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: 95894-14-7
CAS Name: (E)-2-butenedioic acid; 2-[(4-methyl-1-piperazinyl)methyl]-1-(2-prop-2-enoxyethyl)benzimidazole; hydrate
OPENEYE Name: 1-(2-allyloxyethyl)-2-[(4-methylpiperazin-1-yl)methyl]benzimidazole; fumaric acid; hydrate
IUPAC Name: (E)-but-2-enedioic acid; 2-[(4-methylpiperazin-1-yl)methyl]-1-(2-prop-2-enoxyethyl)benzimidazole; hydrate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[(4-methylpiperazin-1-yl)methyl]-1-(2-prop-2-enoxyethyl)benzimidazole; hydrate
MOLECULAR FORMULA: C44H62N8O11
MOLECULAR WEIGHT: 879.01008
SMILES: CN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCOCC=C.CN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCOCC=C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.O
Structure:
CAS RN: 95894-09-0
CAS Name: (E)-2-butenedioic acid; 2-[(4-methyl-1-piperazinyl)methyl]-1-(2-propoxyethyl)benzimidazole
OPENEYE Name: fumaric acid; 2-[(4-methylpiperazin-1-yl)methyl]-1-(2-propoxyethyl)benzimidazole
IUPAC Name: (E)-but-2-enedioic acid; 2-[(4-methylpiperazin-1-yl)methyl]-1-(2-propoxyethyl)benzimidazole
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[(4-methylpiperazin-1-yl)methyl]-1-(2-propoxyethyl)benzimidazole
MOLECULAR FORMULA: C26H36N4O9
MOLECULAR WEIGHT: 548.58544
SMILES: CCCOCCN1C(=NC2=CC=CC=C12)CN3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 95894-12-5
CAS Name: (E)-2-butenedioic acid; 2-[(4-methyl-1-piperazinyl)methyl]-1-(2-prop-2-enoxyethyl)benzimidazole; trihydrate
OPENEYE Name: 1-(2-allyloxyethyl)-2-[(4-methylpiperazin-1-yl)methyl]benzimidazole; fumaric acid; trihydrate
IUPAC Name: (E)-but-2-enedioic acid; 2-[(4-methylpiperazin-1-yl)methyl]-1-(2-prop-2-enoxyethyl)benzimidazole; trihydrate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[(4-methylpiperazin-1-yl)methyl]-1-(2-prop-2-enoxyethyl)benzimidazole; trihydrate
MOLECULAR FORMULA: C44H66N8O13
MOLECULAR WEIGHT: 915.04064
SMILES: CN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCOCC=C.CN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCOCC=C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.O.O.O
Structure:
CAS RN: 95894-16-9
CAS Name: (E)-2-butenedioic acid; 2-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-(2-prop-2-ynoxyethyl)benzimidazole
OPENEYE Name: fumaric acid; 2-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-(2-prop-2-ynoxyethyl)benzimidazole
IUPAC Name: (E)-but-2-enedioic acid; 2-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-(2-prop-2-ynoxyethyl)benzimidazole
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 2-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-(2-prop-2-ynoxyethyl)benzimidazole
MOLECULAR FORMULA: C50H64N8O14
MOLECULAR WEIGHT: 1001.08836
SMILES: CN1CCN(CCC1)CC2=NC3=CC=CC=C3N2CCOCC#C.CN1CCN(CCC1)CC2=NC3=CC=CC=C3N2CCOCC#C.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:
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