CAS RN: 124882-58-2
CAS Name: 3-(2-mercaptoethylamino)propanamide hydrobromide
OPENEYE Name: 3-(2-sulfanylethylamino)propanamide hydrobromide
IUPAC Name: 3-(2-sulfanylethylamino)propanamide hydrobromide
SYSTEMATIC NAME: 3-(2-sulfanylethylamino)propanamide hydrobromide
MOLECULAR FORMULA: C5H13BrN2OS
MOLECULAR WEIGHT: 229.13852
SMILES: C(CNCCS)C(=O)N.Br
Structure:
CAS RN: 124861-92-3
CAS Name: 4-[(4-chlorophenyl)sulfonylhydrazo]-4-oxo-N-(2-thiazolyl)butanamide
OPENEYE Name: 4-[2-(4-chlorophenyl)sulfonylhydrazino]-4-oxo-N-thiazol-2-yl-butanamide
IUPAC Name: 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxidanylidene-N-(1,3-thiazol-2-yl)butanamide
MOLECULAR FORMULA: C13H13ClN4O4S2
MOLECULAR WEIGHT: 388.84972
SMILES: C1=CC(=CC=C1S(=O)(=O)NNC(=O)CCC(=O)NC2=NC=CS2)Cl
Structure:
CAS RN: 124861-91-2
CAS Name: N-[4-[[[1,4-dioxo-4-(2-thiazolylamino)butyl]amino]sulfamoyl]phenyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[4-[[[4-oxo-4-(thiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate
IUPAC Name: methyl N-[4-[[[4-oxo-4-(1,3-thiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate
SYSTEMATIC NAME: methyl N-[4-[[[4-oxidanylidene-4-(1,3-thiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate
MOLECULAR FORMULA: C15H17N5O6S2
MOLECULAR WEIGHT: 427.45538
SMILES: COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=NC=CS2
Structure:
CAS RN: 124861-90-1
CAS Name: 4-[(4-methoxyphenyl)sulfonylhydrazo]-4-oxo-N-(2-thiazolyl)butanamide
OPENEYE Name: 4-[2-(4-methoxyphenyl)sulfonylhydrazino]-4-oxo-N-thiazol-2-yl-butanamide
IUPAC Name: 4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxidanylidene-N-(1,3-thiazol-2-yl)butanamide
MOLECULAR FORMULA: C14H16N4O5S2
MOLECULAR WEIGHT: 384.43064
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=NC=CS2
Structure:
CAS RN: 124841-07-2
CAS Name: 4-[(2-nitrophenyl)sulfonylhydrazo]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
OPENEYE Name: 4-[2-(2-nitrophenyl)sulfonylhydrazino]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
IUPAC Name: 4-[2-(2-nitrophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-[2-(2-nitrophenyl)sulfonylhydrazinyl]-4-oxidanylidene-N-(1,3,4-thiadiazol-2-yl)butanamide
MOLECULAR FORMULA: C12H12N6O6S2
MOLECULAR WEIGHT: 400.39028
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NNC(=O)CCC(=O)NC2=NN=CS2
Structure:
CAS RN: 124841-06-1
CAS Name: 4-[(4-chlorophenyl)sulfonylhydrazo]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
OPENEYE Name: 4-[2-(4-chlorophenyl)sulfonylhydrazino]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
IUPAC Name: 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-[2-(4-chlorophenyl)sulfonylhydrazinyl]-4-oxidanylidene-N-(1,3,4-thiadiazol-2-yl)butanamide
MOLECULAR FORMULA: C12H12ClN5O4S2
MOLECULAR WEIGHT: 389.83778
SMILES: C1=CC(=CC=C1S(=O)(=O)NNC(=O)CCC(=O)NC2=NN=CS2)Cl
Structure:
CAS RN: 124841-05-0
CAS Name: N-[4-[[[1,4-dioxo-4-(1,3,4-thiadiazol-2-ylamino)butyl]amino]sulfamoyl]phenyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[4-[[[4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate
IUPAC Name: methyl N-[4-[[[4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate
SYSTEMATIC NAME: methyl N-[4-[[[4-oxidanylidene-4-(1,3,4-thiadiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate
MOLECULAR FORMULA: C14H16N6O6S2
MOLECULAR WEIGHT: 428.44344
SMILES: COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=NN=CS2
Structure:
CAS RN: 124841-04-9
CAS Name: 4-[(4-methoxyphenyl)sulfonylhydrazo]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
OPENEYE Name: 4-[2-(4-methoxyphenyl)sulfonylhydrazino]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
IUPAC Name: 4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxidanylidene-N-(1,3,4-thiadiazol-2-yl)butanamide
MOLECULAR FORMULA: C13H15N5O5S2
MOLECULAR WEIGHT: 385.4187
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=NN=CS2
Structure:
CAS RN: 124841-03-8
CAS Name: 4-[[(2-methylphenyl)-oxomethyl]hydrazo]-4-oxo-N-(2-thiazolyl)butanamide
OPENEYE Name: 4-[2-(2-methylbenzoyl)hydrazino]-4-oxo-N-thiazol-2-yl-butanamide
IUPAC Name: 4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-[2-(2-methylphenyl)carbonylhydrazinyl]-4-oxidanylidene-N-(1,3-thiazol-2-yl)butanamide
MOLECULAR FORMULA: C15H16N4O3S
MOLECULAR WEIGHT: 332.37754
SMILES: CC1=CC=CC=C1C(=O)NNC(=O)CCC(=O)NC2=NC=CS2
Structure:
CAS RN: 124841-02-7
CAS Name: 2-[4-[[4-(hydrazinecarbonyl)-2-thiazolyl]amino]-1,4-dioxobutyl]butanedioic acid
OPENEYE Name: 2-[4-[[4-(hydrazinecarbonyl)thiazol-2-yl]amino]-4-oxo-butanoyl]butanedioic acid
IUPAC Name: 2-[4-[[4-(hydrazinecarbonyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]butanedioic acid
SYSTEMATIC NAME: 2-[4-[[4-(aminocarbamoyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]butanedioic acid
MOLECULAR FORMULA: C12H14N4O7S
MOLECULAR WEIGHT: 358.32716
SMILES: C1=C(N=C(S1)NC(=O)CCC(=O)C(CC(=O)O)C(=O)O)C(=O)NN
Structure:
CAS RN: 124841-01-6
CAS Name: 4-oxo-4-(1-oxobutylhydrazo)-N-(2-thiazolyl)butanamide
OPENEYE Name: 4-(2-butanoylhydrazino)-4-oxo-N-thiazol-2-yl-butanamide
IUPAC Name: 4-(2-butanoylhydrazinyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-(2-butanoylhydrazinyl)-4-oxidanylidene-N-(1,3-thiazol-2-yl)butanamide
MOLECULAR FORMULA: C11H16N4O3S
MOLECULAR WEIGHT: 284.33474
SMILES: CCCC(=O)NNC(=O)CCC(=O)NC1=NC=CS1
Structure:
CAS RN: 124841-00-5
CAS Name: 4-[[(2-methylphenyl)-oxomethyl]hydrazo]-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
OPENEYE Name: 4-[2-(2-methylbenzoyl)hydrazino]-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
IUPAC Name: 4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-[2-(2-methylphenyl)carbonylhydrazinyl]-4-oxidanylidene-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
MOLECULAR FORMULA: C17H21N5O3S
MOLECULAR WEIGHT: 375.44534
SMILES: CCCC1=NN=C(S1)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2C
Structure:
CAS RN: 124840-99-9
CAS Name: 2-[4-[[5-(3-hydrazinyl-3-oxopropyl)-1,3,4-thiadiazol-2-yl]amino]-1,4-dioxobutyl]butanedioic acid
OPENEYE Name: 2-[4-[[5-(3-hydrazino-3-oxo-propyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoyl]butanedioic acid
IUPAC Name: 2-[4-[[5-(3-hydrazinyl-3-oxopropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoyl]butanedioic acid
SYSTEMATIC NAME: 2-[4-[[5-(3-diazanyl-3-oxidanylidene-propyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoyl]butanedioic acid
MOLECULAR FORMULA: C13H17N5O7S
MOLECULAR WEIGHT: 387.36838
SMILES: C(CC(=O)NN)C1=NN=C(S1)NC(=O)CCC(=O)C(CC(=O)O)C(=O)O
Structure:
CAS RN: 124840-98-8
CAS Name: 4-oxo-4-(1-oxobutylhydrazo)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
OPENEYE Name: 4-(2-butanoylhydrazino)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
IUPAC Name: 4-(2-butanoylhydrazinyl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-(2-butanoylhydrazinyl)-4-oxidanylidene-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
MOLECULAR FORMULA: C13H21N5O3S
MOLECULAR WEIGHT: 327.40254
SMILES: CCCC1=NN=C(S1)NC(=O)CCC(=O)NNC(=O)CCC
Structure:
CAS RN: 124840-97-7
CAS Name: 4-oxo-4-(1-oxopropylhydrazo)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
OPENEYE Name: 4-oxo-4-(2-propanoylhydrazino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
IUPAC Name: 4-oxo-4-(2-propanoylhydrazinyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-oxidanylidene-4-(2-propanoylhydrazinyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
MOLECULAR FORMULA: C12H19N5O3S
MOLECULAR WEIGHT: 313.37596
SMILES: CCCC1=NN=C(S1)NC(=O)CCC(=O)NNC(=O)CC
Structure:
CAS RN: 124840-96-6
CAS Name: 4-hydrazinyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
OPENEYE Name: 4-hydrazino-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
IUPAC Name: 4-hydrazinyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-diazanyl-4-oxidanylidene-N-(1,3,4-thiadiazol-2-yl)butanamide
MOLECULAR FORMULA: C6H9N5O2S
MOLECULAR WEIGHT: 215.23296
SMILES: C1=NN=C(S1)NC(=O)CCC(=O)NN
Structure:
CAS RN: 124815-66-3
CAS Name: 2-[[(2S)-2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid methyl ester
OPENEYE Name: methyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetate
IUPAC Name: methyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
SYSTEMATIC NAME: methyl 2-[[(2S)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate
MOLECULAR FORMULA: C15H19NO4S
MOLECULAR WEIGHT: 309.38066
SMILES: CC(=O)SC[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)OC
Structure:
CAS RN: 124815-65-2
CAS Name: 2-[[(2R)-2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid methyl ester
OPENEYE Name: methyl 2-[[(2R)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetate
IUPAC Name: methyl 2-[[(2R)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
SYSTEMATIC NAME: methyl 2-[[(2R)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate
MOLECULAR FORMULA: C15H19NO4S
MOLECULAR WEIGHT: 309.38066
SMILES: CC(=O)SC[C@H](CC1=CC=CC=C1)C(=O)NCC(=O)OC
Structure:
CAS RN: 124753-60-2
CAS Name: 2,2-diphenylacetic acid [(3R,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl ester hydrochloride
OPENEYE Name: [(3R,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylacetate hydrochloride
IUPAC Name: [(3R,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: [(3R,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylethanoate hydrochloride
MOLECULAR FORMULA: C23H28ClNO2
MOLECULAR WEIGHT: 385.92692
SMILES: C[C@@H]1CC[C@H]2N1[C@H](CC2)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl
Structure:
CAS RN: 124733-04-6
CAS Name: 4-[2-(difluoromethoxy)-4-nitrophenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid methyl ester
OPENEYE Name: methyl 4-[2-(difluoromethoxy)-4-nitro-phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
IUPAC Name: methyl 4-[2-(difluoromethoxy)-4-nitrophenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 4-[2-[bis(fluoranyl)methoxy]-4-nitro-phenyl]-2-methyl-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C17H14F2N2O7
MOLECULAR WEIGHT: 396.299066
SMILES: CC1=C(C(C2=C(N1)COC2=O)C3=C(C=C(C=C3)[N+](=O)[O-])OC(F)F)C(=O)OC
Structure:
CAS RN: 124733-03-5
CAS Name: 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid 3-methylbutyl ester
OPENEYE Name: isopentyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
IUPAC Name: 3-methylbutyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SYSTEMATIC NAME: 3-methylbutyl 4-[2-[bis(fluoranyl)methoxy]phenyl]-2-methyl-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C21H23F2NO5
MOLECULAR WEIGHT: 407.407826
SMILES: CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC=C3OC(F)F)C(=O)OCCC(C)C
Structure:
CAS RN: 124694-98-0
CAS Name: 6-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxobutyl]-3-methyl-1,3-benzoxazol-2-one
OPENEYE Name: 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoyl]-3-methyl-1,3-benzoxazol-2-one
IUPAC Name: 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoyl]-3-methyl-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butanoyl]-3-methyl-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C23H27N3O4
MOLECULAR WEIGHT: 409.47818
SMILES: CN1C2=C(C=C(C=C2)C(=O)CCCN3CCN(CC3)C4=CC=CC=C4OC)OC1=O
Structure:
CAS RN: 124675-93-0
CAS Name: 2,2-diphenylacetic acid (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl ester hydrochloride
OPENEYE Name: (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate hydrochloride
IUPAC Name: (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methyl 2,2-diphenylethanoate hydrochloride
MOLECULAR FORMULA: C23H28ClNO2
MOLECULAR WEIGHT: 385.92692
SMILES: CC1CCC2N1C(CC2)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl
Structure:
CAS RN: 124675-92-9
CAS Name: 2,2-diphenylacetic acid [(3S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl ester hydrochloride
OPENEYE Name: [(3S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylacetate hydrochloride
IUPAC Name: [(3S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: [(3S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylethanoate hydrochloride
MOLECULAR FORMULA: C22H26ClNO2
MOLECULAR WEIGHT: 371.90034
SMILES: C1C[C@H]2CC[C@H](N2C1)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl
Structure:
CAS RN: 124675-91-8
CAS Name: 2,2-diphenylacetic acid [(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl ester hydrochloride
OPENEYE Name: [(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylacetate hydrochloride
IUPAC Name: [(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: [(3R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl 2,2-diphenylethanoate hydrochloride
MOLECULAR FORMULA: C22H26ClNO2
MOLECULAR WEIGHT: 371.90034
SMILES: C1C[C@H]2CC[C@@H](N2C1)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl
Structure:
CAS RN: 124675-89-4
CAS Name: benzoic acid [(3S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl ester hydrochloride
OPENEYE Name: [(3S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate hydrochloride
IUPAC Name: [(3S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate hydrochloride
SYSTEMATIC NAME: [(3S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]methyl benzoate hydrochloride
MOLECULAR FORMULA: C15H20ClNO2
MOLECULAR WEIGHT: 281.7778
SMILES: C1C[C@H]2CC[C@H](N2C1)COC(=O)C3=CC=CC=C3.Cl
Structure:
CAS RN: 124674-05-1
CAS Name: 3-methyl-6-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,3-benzoxazol-2-one
OPENEYE Name: 3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one
IUPAC Name: 3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C20H25N5O2
MOLECULAR WEIGHT: 367.4448
SMILES: CN1C2=C(C=C(C=C2)CCCCN3CCN(CC3)C4=NC=CC=N4)OC1=O
Structure:
CAS RN: 124674-01-7
CAS Name: 6-[1-hydroxy-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-3-methyl-1,3-benzoxazol-2-one
OPENEYE Name: 6-[1-hydroxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-methyl-1,3-benzoxazol-2-one
IUPAC Name: 6-[1-hydroxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-methyl-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 3-methyl-6-[1-oxidanyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C20H25N5O3
MOLECULAR WEIGHT: 383.4442
SMILES: CN1C2=C(C=C(C=C2)C(CCCN3CCN(CC3)C4=NC=CC=N4)O)OC1=O
Structure:
CAS RN: 124673-99-0
CAS Name: 6-[4-[4-(4-fluorophenyl)-1-piperazinyl]-1-hydroxybutyl]-3-methyl-1,3-benzoxazol-2-one
OPENEYE Name: 6-[4-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxy-butyl]-3-methyl-1,3-benzoxazol-2-one
IUPAC Name: 6-[4-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxybutyl]-3-methyl-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-[4-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxidanyl-butyl]-3-methyl-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C22H26FN3O3
MOLECULAR WEIGHT: 399.458543
SMILES: CN1C2=C(C=C(C=C2)C(CCCN3CCN(CC3)C4=CC=C(C=C4)F)O)OC1=O
Structure:
CAS RN: 124673-98-9
CAS Name: 6-[1-hydroxy-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butyl]-3-methyl-1,3-benzoxazol-2-one
OPENEYE Name: 6-[1-hydroxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one
IUPAC Name: 6-[1-hydroxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 3-methyl-6-[1-oxidanyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C23H26F3N3O3
MOLECULAR WEIGHT: 449.46605
SMILES: CN1C2=C(C=C(C=C2)C(CCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)O)OC1=O
Structure:
CAS RN: 124673-96-7
CAS Name: 3-methyl-6-[1-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,3-benzoxazol-2-one
OPENEYE Name: 3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]-1,3-benzoxazol-2-one
IUPAC Name: 3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoyl]-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C20H23N5O3
MOLECULAR WEIGHT: 381.42832
SMILES: CN1C2=C(C=C(C=C2)C(=O)CCCN3CCN(CC3)C4=NC=CC=N4)OC1=O
Structure:
CAS RN: 124673-63-8
CAS Name: 5-chloro-3-(4-methyl-1-piperazinyl)-1H-indazole hydrochloride
OPENEYE Name: 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole hydrochloride
IUPAC Name: 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole hydrochloride
SYSTEMATIC NAME: 5-chloranyl-3-(4-methylpiperazin-1-yl)-1H-indazole hydrochloride
MOLECULAR FORMULA: C12H16Cl2N4
MOLECULAR WEIGHT: 287.18824
SMILES: CN1CCN(CC1)C2=NNC3=C2C=C(C=C3)Cl.Cl
Structure:
CAS RN: 124656-87-7
CAS Name: 4-[3-(diethylamino)-2-hydroxypropoxy]-1-methyl-2-quinolinone hydrochloride
OPENEYE Name: 4-[3-(diethylamino)-2-hydroxy-propoxy]-1-methyl-quinolin-2-one hydrochloride
IUPAC Name: 4-[3-(diethylamino)-2-hydroxypropoxy]-1-methylquinolin-2-one hydrochloride
SYSTEMATIC NAME: 4-[3-(diethylamino)-2-oxidanyl-propoxy]-1-methyl-quinolin-2-one hydrochloride
MOLECULAR FORMULA: C17H25ClN2O3
MOLECULAR WEIGHT: 340.845
SMILES: CCN(CC)CC(COC1=CC(=O)N(C2=CC=CC=C21)C)O.Cl
Structure:
CAS RN: 124656-82-2
CAS Name: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-methyl-2-quinolinone
OPENEYE Name: 4-[2-hydroxy-3-(isopropylamino)propoxy]-1-methyl-quinolin-2-one
IUPAC Name: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-methylquinolin-2-one
SYSTEMATIC NAME: 1-methyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]quinolin-2-one
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: CC(C)NCC(COC1=CC(=O)N(C2=CC=CC=C21)C)O
Structure:
CAS RN: 124645-45-0
CAS Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]-N-[2-(diethylamino)ethyl]acetamide
OPENEYE Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
IUPAC Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
SYSTEMATIC NAME: 2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-[2-(diethylamino)ethyl]ethanamide
MOLECULAR FORMULA: C22H27ClN2OS2
MOLECULAR WEIGHT: 435.04558
SMILES: CCN(CC)CCNC(=O)CSC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13
Structure:
CAS RN: 124645-37-0
CAS Name: butanedioic acid; 2-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]ethyl]-1-piperazinyl]ethanol
OPENEYE Name: 2-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]ethyl]piperazin-1-yl]ethanol; succinic acid
IUPAC Name: butanedioic acid; 2-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]ethyl]piperazin-1-yl]ethanol
SYSTEMATIC NAME: butanedioic acid; 2-[4-[2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]ethyl]piperazin-1-yl]ethanol
MOLECULAR FORMULA: C26H33ClN2O5S2
MOLECULAR WEIGHT: 553.13362
SMILES: C1CN(CCN1CCO)CCSC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24.C(CC(=O)O)C(=O)O
Structure:
CAS RN: 124645-21-2
CAS Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]-N-methylethanamine hydrochloride
OPENEYE Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-methyl-ethanamine hydrochloride
IUPAC Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-methylethanamine hydrochloride
SYSTEMATIC NAME: 2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-N-methyl-ethanamine hydrochloride
MOLECULAR FORMULA: C17H19Cl2NS2
MOLECULAR WEIGHT: 372.37546
SMILES: CNCCSC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13.Cl
Structure:
CAS RN: 124636-11-9
CAS Name: N2-(4,6-dimethyl-2-pyrimidinyl)-3H-benzimidazole-2,5-diamine dihydrochloride
OPENEYE Name: N2-(4,6-dimethylpyrimidin-2-yl)-3H-benzimidazole-2,5-diamine dihydrochloride
IUPAC Name: 2-N-(4,6-dimethylpyrimidin-2-yl)-3H-benzimidazole-2,5-diamine dihydrochloride
SYSTEMATIC NAME: N2-(4,6-dimethylpyrimidin-2-yl)-3H-benzimidazole-2,5-diamine dihydrochloride
MOLECULAR FORMULA: C13H16Cl2N6
MOLECULAR WEIGHT: 327.21234
SMILES: CC1=CC(=NC(=N1)NC2=NC3=C(N2)C=C(C=C3)N)C.Cl.Cl
Structure:
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