CAS RN: 3545-24-2
CAS Name: 3-[2-(diethylamino)ethyl]-4-phenyl-5-oxadiazol-3-iumolate hydrochloride
OPENEYE Name: 3-[2-(diethylamino)ethyl]-4-phenyl-oxadiazol-3-ium-5-olate hydrochloride
IUPAC Name: 3-[2-(diethylamino)ethyl]-4-phenyloxadiazol-3-ium-5-olate hydrochloride
SYSTEMATIC NAME: 3-[2-(diethylamino)ethyl]-4-phenyl-1,2,3-oxadiazol-3-ium-5-olate hydrochloride
MOLECULAR FORMULA: C14H20ClN3O2
MOLECULAR WEIGHT: 297.7805
SMILES: CCN(CC)CC[N+]1=NOC(=C1C2=CC=CC=C2)[O-].Cl
Structure:
CAS RN: 3545-23-1
CAS Name: 3-[2-(1-piperidinyl)ethyl]-5-oxadiazol-3-iumolate hydrochloride
OPENEYE Name: 3-[2-(1-piperidyl)ethyl]oxadiazol-3-ium-5-olate hydrochloride
IUPAC Name: 3-(2-piperidin-1-ylethyl)oxadiazol-3-ium-5-olate hydrochloride
SYSTEMATIC NAME: 3-(2-piperidin-1-ylethyl)-1,2,3-oxadiazol-3-ium-5-olate hydrochloride
MOLECULAR FORMULA: C9H16ClN3O2
MOLECULAR WEIGHT: 233.69524
SMILES: C1CCN(CC1)CC[N+]2=NOC(=C2)[O-].Cl
Structure:
CAS RN: 3534-36-9
CAS Name: 3,4,5-trimethoxybenzoic acid 2-[4-[1-(2-chloro-10-phenothiazinyl)propan-2-yl]-1-piperazinyl]ethyl ester
OPENEYE Name: 2-[4-[2-(2-chlorophenothiazin-10-yl)-1-methyl-ethyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
IUPAC Name: 2-[4-[1-(2-chlorophenothiazin-10-yl)propan-2-yl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: 2-[4-[1-(2-chloranylphenothiazin-10-yl)propan-2-yl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C31H36ClN3O5S
MOLECULAR WEIGHT: 598.15264
SMILES: CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)N4CCN(CC4)CCOC(=O)C5=CC(=C(C(=C5)OC)OC)OC
Structure:
CAS RN: 3530-21-0
CAS Name: 4-(1,3-dioxolan-4-yl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin
OPENEYE Name: 4-(1,3-dioxolan-4-yl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
IUPAC Name: 4-(1,3-dioxolan-4-yl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
SYSTEMATIC NAME: 4-(1,3-dioxolan-4-yl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
MOLECULAR FORMULA: C9H14O6
MOLECULAR WEIGHT: 218.20386
SMILES: C1C(OCO1)C2C3C(COCO3)OCO2
Structure:
CAS RN: 52613-10-2
CAS Name: 4-(1,3-dioxolan-4-yl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin
OPENEYE Name: 4-(1,3-dioxolan-4-yl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
IUPAC Name: 4-(1,3-dioxolan-4-yl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
SYSTEMATIC NAME: 4-(1,3-dioxolan-4-yl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
MOLECULAR FORMULA: C9H14O6
MOLECULAR WEIGHT: 218.20386
SMILES: C1C(OCO1)C2C3C(COCO3)OCO2
Structure:
CAS RN: 3520-76-1
CAS Name: disodium [2-[[oxido(propan-2-yl)phosphoryl]amino]ethylamino]-propan-2-ylphosphinate
OPENEYE Name: disodium isopropyl-[2-[[isopropyl(oxido)phosphoryl]amino]ethylamino]phosphinate
IUPAC Name: disodium [2-[[oxido(propan-2-yl)phosphoryl]amino]ethylamino]-propan-2-ylphosphinate
SYSTEMATIC NAME: disodium [2-[[oxidanidyl(propan-2-yl)phosphoryl]amino]ethylamino]-propan-2-yl-phosphinate
MOLECULAR FORMULA: C8H20N2Na2O4P2
MOLECULAR WEIGHT: 316.182462
SMILES: CC(C)P(=O)(NCCNP(=O)(C(C)C)[O-])[O-].[Na+].[Na+]
Structure:
CAS RN: 3518-89-6
CAS Name: 3-ethyl-1-(2-phenylethyl)-4-piperidinone
OPENEYE Name: 3-ethyl-1-(2-phenylethyl)piperidin-4-one
IUPAC Name: 3-ethyl-1-(2-phenylethyl)piperidin-4-one
SYSTEMATIC NAME: 3-ethyl-1-(2-phenylethyl)piperidin-4-one
MOLECULAR FORMULA: C15H21NO
MOLECULAR WEIGHT: 231.33334
SMILES: CCC1CN(CCC1=O)CCC2=CC=CC=C2
Structure:
CAS RN: 3515-57-9
CAS Name: 2-[4-(1H-indol-3-ylmethyl)-1-piperidinyl]ethanol
OPENEYE Name: 2-[4-(1H-indol-3-ylmethyl)-1-piperidyl]ethanol
IUPAC Name: 2-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]ethanol
SYSTEMATIC NAME: 2-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]ethanol
MOLECULAR FORMULA: C16H22N2O
MOLECULAR WEIGHT: 258.35868
SMILES: C1CN(CCC1CC2=CNC3=CC=CC=C32)CCO
Structure:
CAS RN: 3512-32-1
CAS Name: 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid 4-(diethylamino)but-2-ynyl ester hydrochloride
OPENEYE Name: 4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-(2-thienyl)acetate hydrochloride
IUPAC Name: 4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate hydrochloride
SYSTEMATIC NAME: 4-(diethylamino)but-2-ynyl 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate hydrochloride
MOLECULAR FORMULA: C20H24ClNO3S
MOLECULAR WEIGHT: 393.92746
SMILES: CCN(CC)CC#CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O.Cl
Structure:
CAS RN: 3504-63-0
CAS Name: 1-[(1-cyclohexylcyclohexyl)methyl]piperidine hydrochloride
OPENEYE Name: 1-[(1-cyclohexylcyclohexyl)methyl]piperidine hydrochloride
IUPAC Name: 1-[(1-cyclohexylcyclohexyl)methyl]piperidine hydrochloride
SYSTEMATIC NAME: 1-[(1-cyclohexylcyclohexyl)methyl]piperidine hydrochloride
MOLECULAR FORMULA: C18H34ClN
MOLECULAR WEIGHT: 299.92226
SMILES: C1CCC(CC1)C2(CCCCC2)CN3CCCCC3.Cl
Structure:
CAS RN: 3504-04-9
CAS Name: 2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridine
OPENEYE Name: 2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridine
IUPAC Name: 2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SYSTEMATIC NAME: 2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridine
MOLECULAR FORMULA: C14H12N2O2S
MOLECULAR WEIGHT: 272.32228
SMILES: CS(=O)(=O)C1=CC=CC=C1C2=CN3C=CC=CC3=N2
Structure:
CAS RN: 3489-15-4
CAS Name: 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
OPENEYE Name: 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
IUPAC Name: 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
MOLECULAR FORMULA: C18H19ClN2O
MOLECULAR WEIGHT: 314.80926
SMILES: COC1=CC=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3.Cl
Structure:
CAS RN: 3489-14-3
CAS Name: 3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol hydrochloride
OPENEYE Name: 3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol hydrochloride
IUPAC Name: 3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol hydrochloride
SYSTEMATIC NAME: 3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol hydrochloride
MOLECULAR FORMULA: C17H17ClN2O
MOLECULAR WEIGHT: 300.78268
SMILES: C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)O.Cl
Structure:
CAS RN: 3489-13-2
CAS Name: 1-(3-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
OPENEYE Name: 1-(m-tolyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
IUPAC Name: 1-(3-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
SYSTEMATIC NAME: 1-(3-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
MOLECULAR FORMULA: C18H19ClN2
MOLECULAR WEIGHT: 298.80986
SMILES: CC1=CC=CC(=C1)C2C3=C(CCN2)C4=CC=CC=C4N3.Cl
Structure:
CAS RN: 3489-06-3
CAS Name: (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxo-4-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]carboxylic acid methyl ester
OPENEYE Name: methyl (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxo-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-indoline]-4-carboxylate
IUPAC Name: methyl (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
SYSTEMATIC NAME: methyl (1S,4aS,5aR,6S,10aS)-6'-methoxy-1-methyl-2'-oxidanylidene-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
MOLECULAR FORMULA: C22H26N2O5
MOLECULAR WEIGHT: 398.45224
SMILES: C[C@H]1[C@@H]2CN3CC[C@@]4([C@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=C(C=C(C=C5)OC)NC4=O
Structure:
CAS RN: 3487-48-7
CAS Name: N-(2-phenylethyl)-4-quinazolinamine hydrochloride
OPENEYE Name: N-(2-phenylethyl)quinazolin-4-amine hydrochloride
IUPAC Name: N-(2-phenylethyl)quinazolin-4-amine hydrochloride
SYSTEMATIC NAME: N-(2-phenylethyl)quinazolin-4-amine hydrochloride
MOLECULAR FORMULA: C16H16ClN3
MOLECULAR WEIGHT: 285.77134
SMILES: C1=CC=C(C=C1)CCNC2=NC=NC3=CC=CC=C32.Cl
Structure:
CAS RN: 3484-68-2
CAS Name: carbamic acid [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohex
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-oxidanyl-4-oxidanylidene-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-azanyl-6-[[(3S)-3-azanyl-6-[[(3S)-3-azanyl-6-[[(3S)-3-azanyl-6-[[(3S)-3,6-bis(azanyl)hexanoyl]amino]hexanoyl]amino]hexanoyl]a
MOLECULAR FORMULA: C43H82N16O12
MOLECULAR WEIGHT: 1015.21118
SMILES: C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)N)N)O
Structure:
CAS RN: 3484-67-1
CAS Name: carbamic acid [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexy
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]ami
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]ami
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-oxidanyl-4-oxidanylidene-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-azanyl-6-[[(3S)-3-azanyl-6-[[(3S)-3-azanyl-6-[[(3S)-3-azanyl-6-[[(3S)-3-azanyl-6-[[(3S)-3,6-bis(azanyl)hexanoyl]amino]hexanoy
MOLECULAR FORMULA: C49H94N18O13
MOLECULAR WEIGHT: 1143.38346
SMILES: C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)N)N)N)O
Structure:
CAS RN: 3483-35-0
CAS Name: 3-[2-(diethylamino)ethyl]-5-oxadiazol-3-iumolate hydrochloride
OPENEYE Name: 3-[2-(diethylamino)ethyl]oxadiazol-3-ium-5-olate hydrochloride
IUPAC Name: 3-[2-(diethylamino)ethyl]oxadiazol-3-ium-5-olate hydrochloride
SYSTEMATIC NAME: 3-[2-(diethylamino)ethyl]-1,2,3-oxadiazol-3-ium-5-olate hydrochloride
MOLECULAR FORMULA: C8H16ClN3O2
MOLECULAR WEIGHT: 221.68454
SMILES: CCN(CC)CC[N+]1=NOC(=C1)[O-].Cl
Structure:
CAS RN: 3483-34-9
CAS Name: 3-[2-(diethylamino)ethyl]-4-methyl-5-oxadiazol-3-iumolate hydrochloride
OPENEYE Name: 3-[2-(diethylamino)ethyl]-4-methyl-oxadiazol-3-ium-5-olate hydrochloride
IUPAC Name: 3-[2-(diethylamino)ethyl]-4-methyloxadiazol-3-ium-5-olate hydrochloride
SYSTEMATIC NAME: 3-[2-(diethylamino)ethyl]-4-methyl-1,2,3-oxadiazol-3-ium-5-olate hydrochloride
MOLECULAR FORMULA: C9H18ClN3O2
MOLECULAR WEIGHT: 235.71112
SMILES: CCN(CC)CC[N+]1=NOC(=C1C)[O-].Cl
Structure:
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