CAS RN: 27066-47-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28N4O5
MOLECULAR WEIGHT: 416.47082
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)NC5CCCCC5
Structure:
CAS RN: 4049-14-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28N4O5
MOLECULAR WEIGHT: 416.47082
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)NC5CCCCC5
Structure:
CAS RN: 18432-95-6
CAS Name: 1,10-phenanthroline; platinum(2+); dichloride
OPENEYE Name: 1,10-phenanthroline; platinum(2+); dichloride
IUPAC Name: 1,10-phenanthroline; platinum(2+); dichloride
SYSTEMATIC NAME: 1,10-phenanthroline; platinum(2+); dichloride
MOLECULAR FORMULA: C12H8Cl2N2Pt
MOLECULAR WEIGHT: 446.18932
SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cl-].[Cl-].[Pt+2]
Structure:
CAS RN: 18430-44-9
CAS Name: 4-methylbenzenesulfonic acid; N4-(1-methyl-7-quinolin-1-iumyl)-N1-[4-[[(1-methyl-7-quinolin-1-iumyl)amino]-oxomethyl]phenyl]benzene-1,4-dicarboxamide
OPENEYE Name: 4-methylbenzenesulfonic acid; N4-(1-methylquinolin-1-ium-7-yl)-N1-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]terephthalamide
IUPAC Name: 4-methylbenzenesulfonic acid; 4-N-(1-methylquinolin-1-ium-7-yl)-1-N-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; N4-(1-methylquinolin-1-ium-7-yl)-N1-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C49H45N5O9S2+2
MOLECULAR WEIGHT: 912.0397
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC6=C(C=CC=[N+]6C)C=C5
Structure:
CAS RN: 18430-43-8
CAS Name: N-(1-butyl-6-quinolin-1-iumyl)-4-[4-[[(1-butyl-6-quinolin-1-iumyl)amino]-oxomethyl]phenyl]benzamide; 4-methylbenzenesulfonic acid
OPENEYE Name: N-(1-butylquinolin-1-ium-6-yl)-4-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonic acid
IUPAC Name: N-(1-butylquinolin-1-ium-6-yl)-4-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: N-(1-butylquinolin-1-ium-6-yl)-4-[4-[(1-butylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C54H56N4O8S2+2
MOLECULAR WEIGHT: 953.17444
SMILES: CCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)[N+](=CC=C6)CCCC.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 18430-30-3
CAS Name: 3-octan-2-yl-5-oxadiazol-3-iumamine chloride
OPENEYE Name: 3-(1-methylheptyl)oxadiazol-3-ium-5-amine chloride
IUPAC Name: 3-octan-2-yloxadiazol-3-ium-5-amine chloride
SYSTEMATIC NAME: 3-octan-2-yl-1,2,3-oxadiazol-3-ium-5-amine chloride
MOLECULAR FORMULA: C10H20ClN3O
MOLECULAR WEIGHT: 233.7383
SMILES: CCCCCCC(C)[N+]1=NOC(=C1)N.[Cl-]
Structure:
CAS RN: 18430-29-0
CAS Name: 3-butan-2-yl-5-oxadiazol-3-iumamine chloride
OPENEYE Name: 3-sec-butyloxadiazol-3-ium-5-amine chloride
IUPAC Name: 3-butan-2-yloxadiazol-3-ium-5-amine chloride
SYSTEMATIC NAME: 3-butan-2-yl-1,2,3-oxadiazol-3-ium-5-amine chloride
MOLECULAR FORMULA: C6H12ClN3O
MOLECULAR WEIGHT: 177.63198
SMILES: CCC(C)[N+]1=NOC(=C1)N.[Cl-]
Structure:
CAS RN: 18430-27-8
CAS Name: 3-(2,2-diphenylethyl)-5-oxadiazol-3-iumamine chloride
OPENEYE Name: 3-(2,2-diphenylethyl)oxadiazol-3-ium-5-amine chloride
IUPAC Name: 3-(2,2-diphenylethyl)oxadiazol-3-ium-5-amine chloride
SYSTEMATIC NAME: 3-(2,2-diphenylethyl)-1,2,3-oxadiazol-3-ium-5-amine chloride
MOLECULAR FORMULA: C16H16ClN3O
MOLECULAR WEIGHT: 301.77074
SMILES: C1=CC=C(C=C1)C(C[N+]2=NOC(=C2)N)C3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 20455-24-7
CAS Name: 3-(2,2-diphenylethyl)-5-oxadiazol-3-iumamine chloride
OPENEYE Name: 3-(2,2-diphenylethyl)oxadiazol-3-ium-5-amine chloride
IUPAC Name: 3-(2,2-diphenylethyl)oxadiazol-3-ium-5-amine chloride
SYSTEMATIC NAME: 3-(2,2-diphenylethyl)-1,2,3-oxadiazol-3-ium-5-amine chloride
MOLECULAR FORMULA: C16H16ClN3O
MOLECULAR WEIGHT: 301.77074
SMILES: C1=CC=C(C=C1)C(C[N+]2=NOC(=C2)N)C3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 18429-76-0
CAS Name: 4-methylbenzoic acid 1H-imidazol-5-ylmethyl ester hydrochloride
OPENEYE Name: 1H-imidazol-5-ylmethyl 4-methylbenzoate hydrochloride
IUPAC Name: 1H-imidazol-5-ylmethyl 4-methylbenzoate hydrochloride
SYSTEMATIC NAME: 1H-imidazol-5-ylmethyl 4-methylbenzoate hydrochloride
MOLECULAR FORMULA: C12H13ClN2O2
MOLECULAR WEIGHT: 252.69682
SMILES: CC1=CC=C(C=C1)C(=O)OCC2=CN=CN2.Cl
Structure:
CAS RN: 18429-73-7
CAS Name: benzoic acid 1H-imidazol-5-ylmethyl ester hydrochloride
OPENEYE Name: 1H-imidazol-5-ylmethyl benzoate hydrochloride
IUPAC Name: 1H-imidazol-5-ylmethyl benzoate hydrochloride
SYSTEMATIC NAME: 1H-imidazol-5-ylmethyl benzoate hydrochloride
MOLECULAR FORMULA: C11H11ClN2O2
MOLECULAR WEIGHT: 238.67024
SMILES: C1=CC=C(C=C1)C(=O)OCC2=CN=CN2.Cl
Structure:
CAS RN: 18429-50-0
CAS Name: 2-hydroxybenzoic acid 1H-imidazol-5-ylmethyl ester hydrochloride
OPENEYE Name: 1H-imidazol-5-ylmethyl 2-hydroxybenzoate hydrochloride
IUPAC Name: 1H-imidazol-5-ylmethyl 2-hydroxybenzoate hydrochloride
SYSTEMATIC NAME: 1H-imidazol-5-ylmethyl 2-oxidanylbenzoate hydrochloride
MOLECULAR FORMULA: C11H11ClN2O3
MOLECULAR WEIGHT: 254.66964
SMILES: C1=CC=C(C(=C1)C(=O)OCC2=CN=CN2)O.Cl
Structure:
CAS RN: 18428-96-1
CAS Name: 2-hydroxy-2,2-diphenylacetic acid [4,7,7-trimethyl-2-(1-piperidinylmethyl)-3-bicyclo[2.2.1]heptanyl] ester hydrochloride
OPENEYE Name: [1,7,7-trimethyl-3-(1-piperidylmethyl)norbornan-2-yl] 2-hydroxy-2,2-diphenyl-acetate hydrochloride
IUPAC Name: [4,7,7-trimethyl-2-(piperidin-1-ylmethyl)-3-bicyclo[2.2.1]heptanyl] 2-hydroxy-2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: [4,7,7-trimethyl-2-(piperidin-1-ylmethyl)-3-bicyclo[2.2.1]heptanyl] 2-oxidanyl-2,2-diphenyl-ethanoate hydrochloride
MOLECULAR FORMULA: C30H40ClNO3
MOLECULAR WEIGHT: 498.0965
SMILES: CC1(C2CCC1(C(C2CN3CCCCC3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C)C.Cl
Structure:
CAS RN: 18417-99-7
CAS Name: benzoic acid 2-[2-benzoyloxyethyl(methyl)phosphino]ethyl ester
OPENEYE Name: 2-[2-benzoyloxyethyl(methyl)phosphanyl]ethyl benzoate
IUPAC Name: 2-[2-benzoyloxyethyl(methyl)phosphanyl]ethyl benzoate
SYSTEMATIC NAME: 2-[methyl-[2-(phenylcarbonyloxy)ethyl]phosphanyl]ethyl benzoate
MOLECULAR FORMULA: C19H21O4P
MOLECULAR WEIGHT: 344.341401
SMILES: CP(CCOC(=O)C1=CC=CC=C1)CCOC(=O)C2=CC=CC=C2
Structure:
CAS RN: 18417-98-6
CAS Name: 1-chloro-2-[2-chloroethyl(methyl)phosphoryl]ethane
OPENEYE Name: 1-chloro-2-[2-chloroethyl(methyl)phosphoryl]ethane
IUPAC Name: 1-chloro-2-[2-chloroethyl(methyl)phosphoryl]ethane
SYSTEMATIC NAME: 1-chloranyl-2-[2-chloroethyl(methyl)phosphoryl]ethane
MOLECULAR FORMULA: C5H11Cl2OP
MOLECULAR WEIGHT: 189.020001
SMILES: CP(=O)(CCCl)CCCl
Structure:
CAS RN: 18406-03-6
CAS Name: 3-[diethyl(phenyl)silyl]-1-propanamine
OPENEYE Name: 3-[diethyl(phenyl)silyl]propan-1-amine
IUPAC Name: 3-[diethyl(phenyl)silyl]propan-1-amine
SYSTEMATIC NAME: 3-[diethyl(phenyl)silyl]propan-1-amine
MOLECULAR FORMULA: C13H23NSi
MOLECULAR WEIGHT: 221.41392
SMILES: CC[Si](CC)(CCCN)C1=CC=CC=C1
Structure:
CAS RN: 18392-95-5
CAS Name: N-[3-(3-formamido-1-adamantyl)-1-adamantyl]formamide
OPENEYE Name: N-[3-(3-formamido-1-adamantyl)-1-adamantyl]formamide
IUPAC Name: N-[3-(3-formamido-1-adamantyl)-1-adamantyl]formamide
SYSTEMATIC NAME: N-[3-(3-formamido-1-adamantyl)-1-adamantyl]methanamide
MOLECULAR FORMULA: C22H32N2O2
MOLECULAR WEIGHT: 356.50168
SMILES: C1C2CC3(CC1CC(C2)(C3)NC=O)C45CC6CC(C4)CC(C6)(C5)NC=O
Structure:
CAS RN: 18374-08-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H11NO
MOLECULAR WEIGHT: 209.24324
SMILES: C1=CC=C2C(C3=C(C=CC2=C1)N=CC=C3)O
Structure:
CAS RN: 18361-12-1
CAS Name: (4-chloro-5-methyl-2-propan-2-ylphenoxy)-dimethoxy-sulfanylidenephosphorane
OPENEYE Name: (4-chloro-2-isopropyl-5-methyl-phenoxy)-dimethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenoxy)-dimethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: (4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-dimethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C12H18ClO3PS
MOLECULAR WEIGHT: 308.761281
SMILES: CC1=CC(=C(C=C1Cl)C(C)C)OP(=S)(OC)OC
Structure:
CAS RN: 18355-54-9
CAS Name: N4-(1-ethyl-7-quinolin-1-iumyl)-N1-[4-[[(1-ethyl-7-quinolin-1-iumyl)amino]-oxomethyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
OPENEYE Name: N4-(1-ethylquinolin-1-ium-7-yl)-N1-[4-[(1-ethylquinolin-1-ium-7-yl)carbamoyl]phenyl]terephthalamide; 4-methylbenzenesulfonic acid
IUPAC Name: 4-N-(1-ethylquinolin-1-ium-7-yl)-1-N-[4-[(1-ethylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: N4-(1-ethylquinolin-1-ium-7-yl)-N1-[4-[(1-ethylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C51H49N5O9S2+2
MOLECULAR WEIGHT: 940.09286
SMILES: CC[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC6=C(C=CC=[N+]6CC)C=C5.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 18355-53-8
CAS Name: 4-methylbenzenesulfonic acid; N-(1-methyl-7-quinolin-1-iumyl)-4-[4-[[(1-methyl-7-quinolin-1-iumyl)amino]-oxomethyl]phenyl]benzamide
OPENEYE Name: 4-methylbenzenesulfonic acid; N-(1-methylquinolin-1-ium-7-yl)-4-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzamide
IUPAC Name: 4-methylbenzenesulfonic acid; N-(1-methylquinolin-1-ium-7-yl)-4-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzamide
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; N-(1-methylquinolin-1-ium-7-yl)-4-[4-[(1-methylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzamide
MOLECULAR FORMULA: C48H44N4O8S2+2
MOLECULAR WEIGHT: 869.01496
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=CC=[N+]6C)C=C5
Structure:
CAS RN: 18355-52-7
CAS Name: 4-methylbenzenesulfonic acid; N-(1-methyl-6-quinolin-1-iumyl)-4-[4-[[(1-methyl-6-quinolin-1-iumyl)amino]-oxomethyl]phenyl]benzamide
OPENEYE Name: 4-methylbenzenesulfonic acid; N-(1-methylquinolin-1-ium-6-yl)-4-[4-[(1-methylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide
IUPAC Name: 4-methylbenzenesulfonic acid; N-(1-methylquinolin-1-ium-6-yl)-4-[4-[(1-methylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; N-(1-methylquinolin-1-ium-6-yl)-4-[4-[(1-methylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide
MOLECULAR FORMULA: C48H44N4O8S2+2
MOLECULAR WEIGHT: 869.01496
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)[N+](=CC=C6)C
Structure:
CAS RN: 18355-51-6
CAS Name: N-(1-ethyl-7-quinolin-1-iumyl)-4-[4-[[(1-ethyl-7-quinolin-1-iumyl)amino]-oxomethyl]phenyl]benzamide; 4-methylbenzenesulfonic acid
OPENEYE Name: N-(1-ethylquinolin-1-ium-7-yl)-4-[4-[(1-ethylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonic acid
IUPAC Name: N-(1-ethylquinolin-1-ium-7-yl)-4-[4-[(1-ethylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: N-(1-ethylquinolin-1-ium-7-yl)-4-[4-[(1-ethylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzamide; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C50H48N4O8S2+2
MOLECULAR WEIGHT: 897.06812
SMILES: CC[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=CC=[N+]6CC)C=C5.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 18355-45-8
CAS Name: 4-methylbenzenesulfonic acid; 4-[4-[oxo-[(1-propyl-6-quinolin-1-iumyl)amino]methyl]phenyl]-N-(1-propyl-6-quinolin-1-iumyl)benzamide
OPENEYE Name: 4-methylbenzenesulfonic acid; N-(1-propylquinolin-1-ium-6-yl)-4-[4-[(1-propylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide
IUPAC Name: 4-methylbenzenesulfonic acid; N-(1-propylquinolin-1-ium-6-yl)-4-[4-[(1-propylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; N-(1-propylquinolin-1-ium-6-yl)-4-[4-[(1-propylquinolin-1-ium-6-yl)carbamoyl]phenyl]benzamide
MOLECULAR FORMULA: C52H52N4O8S2+2
MOLECULAR WEIGHT: 925.12128
SMILES: CCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=CC6=C(C=C5)[N+](=CC=C6)CCC.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 18355-25-4
CAS Name: N-[benzenesulfonamido(oxo)methyl]-2,2,2-trichloroacetamide
OPENEYE Name: N-(benzenesulfonylcarbamoyl)-2,2,2-trichloro-acetamide
IUPAC Name: N-(benzenesulfonylcarbamoyl)-2,2,2-trichloroacetamide
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-N-(phenylsulfonylcarbamoyl)ethanamide
MOLECULAR FORMULA: C9H7Cl3N2O4S
MOLECULAR WEIGHT: 345.58688
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(=O)C(Cl)(Cl)Cl
Structure:
CAS RN: 18354-32-0
CAS Name: 1-(phenylmethylthio)-2-propanamine hydrochloride
OPENEYE Name: 1-benzylsulfanylpropan-2-amine hydrochloride
IUPAC Name: 1-benzylsulfanylpropan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(phenylmethylsulfanyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C10H16ClNS
MOLECULAR WEIGHT: 217.75874
SMILES: CC(CSCC1=CC=CC=C1)N.Cl
Structure:
CAS RN: 18334-60-6
CAS Name: 4-phenyl-5-phenylimino-1,2,4-dithiazolidine-3-thione
OPENEYE Name: 4-phenyl-5-phenylimino-1,2,4-dithiazolidine-3-thione
IUPAC Name: 4-phenyl-5-phenylimino-1,2,4-dithiazolidine-3-thione
SYSTEMATIC NAME: 4-phenyl-5-phenylimino-1,2,4-dithiazolidine-3-thione
MOLECULAR FORMULA: C14H10N2S3
MOLECULAR WEIGHT: 302.4376
SMILES: C1=CC=C(C=C1)N=C2N(C(=S)SS2)C3=CC=CC=C3
Structure:
CAS RN: 18332-98-4
CAS Name: 3-chloro-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-chloro-4-oxo-chromene-2-carboxylate
IUPAC Name: ethyl 3-chloro-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: ethyl 3-chloranyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C12H9ClO4
MOLECULAR WEIGHT: 252.65046
SMILES: CCOC(=O)C1=C(C(=O)C2=CC=CC=C2O1)Cl
Structure:
CAS RN: 18317-06-1
CAS Name: N-[3-(3-acetamido-1-adamantyl)-1-adamantyl]acetamide
OPENEYE Name: N-[3-(3-acetamido-1-adamantyl)-1-adamantyl]acetamide
IUPAC Name: N-[3-(3-acetamido-1-adamantyl)-1-adamantyl]acetamide
SYSTEMATIC NAME: N-[3-(3-acetamido-1-adamantyl)-1-adamantyl]ethanamide
MOLECULAR FORMULA: C24H36N2O2
MOLECULAR WEIGHT: 384.55484
SMILES: CC(=O)NC12CC3CC(C1)CC(C3)(C2)C45CC6CC(C4)CC(C6)(C5)NC(=O)C
Structure:
CAS RN: 18303-52-1
CAS Name: 1-[(2S,3S,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2-(1-methyl-1-piperidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone bromide
OPENEYE Name: 1-[(2S,3S,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone bromide
IUPAC Name: 1-[(2S,3S,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone bromide
SYSTEMATIC NAME: 1-[(2S,3S,5S,10S,13S,17S)-10,13-dimethyl-2-(1-methylpiperidin-1-ium-1-yl)-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone bromide
MOLECULAR FORMULA: C27H46BrNO2
MOLECULAR WEIGHT: 496.56364
SMILES: CC(=O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)[N+]5(CCCCC5)C)C)C.[Br-]
Structure:
CAS RN: 18300-61-3
CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(4-methyl-1-piperazinyl)-1-propanone
OPENEYE Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
SYSTEMATIC NAME: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
MOLECULAR FORMULA: C22H27N3O
MOLECULAR WEIGHT: 349.46928
SMILES: CN1CCN(CC1)CCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42
Structure:
CAS RN: 18300-60-2
CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(4-morpholinyl)-1-propanone
OPENEYE Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-morpholino-propan-1-one
IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-morpholin-4-ylpropan-1-one
SYSTEMATIC NAME: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-morpholin-4-yl-propan-1-one
MOLECULAR FORMULA: C21H24N2O2
MOLECULAR WEIGHT: 336.42746
SMILES: C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CCN4CCOCC4
Structure:
CAS RN: 18297-05-7
CAS Name: 2-(ethylamino)-1-(4-methylphenyl)-1-pentanone hydrochloride
OPENEYE Name: 2-(ethylamino)-1-(p-tolyl)pentan-1-one hydrochloride
IUPAC Name: 2-(ethylamino)-1-(4-methylphenyl)pentan-1-one hydrochloride
SYSTEMATIC NAME: 2-(ethylamino)-1-(4-methylphenyl)pentan-1-one hydrochloride
MOLECULAR FORMULA: C14H22ClNO
MOLECULAR WEIGHT: 255.78358
SMILES: CCCC(C(=O)C1=CC=C(C=C1)C)NCC.Cl
Structure:
CAS RN: 18285-69-3
CAS Name: N-butyl-N-[2-[butyl-[oxo(1-pyrrolidinyl)methyl]amino]ethyl]-1-pyrrolidinecarboxamide
OPENEYE Name: N-butyl-N-[2-[butyl(pyrrolidine-1-carbonyl)amino]ethyl]pyrrolidine-1-carboxamide
IUPAC Name: N-butyl-N-[2-[butyl(pyrrolidine-1-carbonyl)amino]ethyl]pyrrolidine-1-carboxamide
SYSTEMATIC NAME: N-butyl-N-[2-[butyl(pyrrolidin-1-ylcarbonyl)amino]ethyl]pyrrolidine-1-carboxamide
MOLECULAR FORMULA: C20H38N4O2
MOLECULAR WEIGHT: 366.54132
SMILES: CCCCN(CCN(CCCC)C(=O)N1CCCC1)C(=O)N2CCCC2
Structure:
CAS RN: 18272-07-6
CAS Name: 1-(4-hydroxy-4-phenyl-1-piperidinyl)-2-(1H-indol-3-yl)ethane-1,2-dione
OPENEYE Name: 1-(4-hydroxy-4-phenyl-1-piperidyl)-2-(1H-indol-3-yl)ethane-1,2-dione
IUPAC Name: 1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
SYSTEMATIC NAME: 1-(1H-indol-3-yl)-2-(4-oxidanyl-4-phenyl-piperidin-1-yl)ethane-1,2-dione
MOLECULAR FORMULA: C21H20N2O3
MOLECULAR WEIGHT: 348.3951
SMILES: C1CN(CCC1(C2=CC=CC=C2)O)C(=O)C(=O)C3=CNC4=CC=CC=C43
Structure:
CAS RN: 18268-16-1
CAS Name: 2-(ethylamino)-1-phenyl-1-pentanone hydrochloride
OPENEYE Name: 2-(ethylamino)-1-phenyl-pentan-1-one hydrochloride
IUPAC Name: 2-(ethylamino)-1-phenylpentan-1-one hydrochloride
SYSTEMATIC NAME: 2-(ethylamino)-1-phenyl-pentan-1-one hydrochloride
MOLECULAR FORMULA: C13H20ClNO
MOLECULAR WEIGHT: 241.757
SMILES: CCCC(C(=O)C1=CC=CC=C1)NCC.Cl
Structure:
CAS RN: 18267-91-9
CAS Name: 1-phenyl-2-(propylamino)-1-butanone hydrochloride
OPENEYE Name: 1-phenyl-2-(propylamino)butan-1-one hydrochloride
IUPAC Name: 1-phenyl-2-(propylamino)butan-1-one hydrochloride
SYSTEMATIC NAME: 1-phenyl-2-(propylamino)butan-1-one hydrochloride
MOLECULAR FORMULA: C13H20ClNO
MOLECULAR WEIGHT: 241.757
SMILES: CCCNC(CC)C(=O)C1=CC=CC=C1.Cl
Structure:
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