CAS RN: 90513-91-0
CAS Name: 2-(3-chlorophenyl)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-5-carboxamide
OPENEYE Name: 2-(3-chlorophenyl)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-5-carboxamide
IUPAC Name: 2-(3-chlorophenyl)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-5-carboxamide
SYSTEMATIC NAME: 2-(3-chlorophenyl)-1,3-bis(oxidanylidene)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-5-carboxamide
MOLECULAR FORMULA: C13H12ClN3O3
MOLECULAR WEIGHT: 293.70568
SMILES: C1CC(N2C1C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C(=O)N
Structure:
CAS RN: 90471-22-0
CAS Name: oxalate; N-(2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethyl)-1-butanamine
OPENEYE Name: oxalate; N-(2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethyl)butan-1-amine
IUPAC Name: oxalate; N-(2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethyl)butan-1-amine
SYSTEMATIC NAME: ethanedioate; N-(2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethyl)butan-1-amine
MOLECULAR FORMULA: C18H22N2O4S-2
MOLECULAR WEIGHT: 362.44328
SMILES: CCCCNCC1CCSC2=C1C3=CC=CC=C3N2.C(=O)(C(=O)[O-])[O-]
Structure:
CAS RN: 85567-47-1
CAS Name: 3-[3-amino-7-(dimethylamino)-1,2-dimethyl-5-phenazin-5-iumyl]benzenesulfonate
OPENEYE Name: 3-[3-amino-7-(dimethylamino)-1,2-dimethyl-phenazin-5-ium-5-yl]benzenesulfonate
IUPAC Name: 3-[3-amino-7-(dimethylamino)-1,2-dimethylphenazin-5-ium-5-yl]benzenesulfonate
SYSTEMATIC NAME: 3-[3-azanyl-7-(dimethylamino)-1,2-dimethyl-phenazin-5-ium-5-yl]benzenesulfonate
MOLECULAR FORMULA: C22H22N4O3S
MOLECULAR WEIGHT: 422.50008
SMILES: CC1=C(C=C2C(=C1C)N=C3C=CC(=CC3=[N+]2C4=CC(=CC=C4)S(=O)(=O)[O-])N(C)C)N
Structure:
CAS RN: 85567-43-7
CAS Name: (2E)-2-[hydroxy(methoxy)methylidene]-3-furo[3,2-b]pyridinone
OPENEYE Name: (2E)-2-[hydroxy(methoxy)methylene]furo[3,2-b]pyridin-3-one
IUPAC Name: (2E)-2-[hydroxy(methoxy)methylidene]furo[3,2-b]pyridin-3-one
SYSTEMATIC NAME: (2E)-2-[methoxy(oxidanyl)methylidene]furo[3,2-b]pyridin-3-one
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: CO/C(=C/1\C(=O)C2=C(O1)C=CC=N2)/O
Structure:
CAS RN: 85536-82-9
CAS Name: ethane; 2-(1-ethyl-6-propan-2-yloxy-2-naphthalenyl)propanoate
OPENEYE Name: ethane; 2-(1-ethyl-6-isopropoxy-2-naphthyl)propanoate
IUPAC Name: ethane; 2-(1-ethyl-6-propan-2-yloxynaphthalen-2-yl)propanoate
SYSTEMATIC NAME: ethane; 2-(1-ethyl-6-propan-2-yloxy-naphthalen-2-yl)propanoate
MOLECULAR FORMULA: C20H27O3-
MOLECULAR WEIGHT: 315.42658
SMILES: CC.CCC1=C(C=CC2=C1C=CC(=C2)OC(C)C)C(C)C(=O)[O-]
Structure:
CAS RN: 85536-81-8
CAS Name: ethanol; 2-(1-ethyl-6-propan-2-yloxy-2-naphthalenyl)propanoate
OPENEYE Name: ethanol; 2-(1-ethyl-6-isopropoxy-2-naphthyl)propanoate
IUPAC Name: ethanol; 2-(1-ethyl-6-propan-2-yloxynaphthalen-2-yl)propanoate
SYSTEMATIC NAME: ethanol; 2-(1-ethyl-6-propan-2-yloxy-naphthalen-2-yl)propanoate
MOLECULAR FORMULA: C20H27O4-
MOLECULAR WEIGHT: 331.42598
SMILES: CCC1=C(C=CC2=C1C=CC(=C2)OC(C)C)C(C)C(=O)[O-].CCO
Structure:
CAS RN: 85410-09-9
CAS Name: 3,3a,4,5-tetrahydro-2H-pentalen-1-one
OPENEYE Name: 3,3a,4,5-tetrahydro-2H-pentalen-1-one
IUPAC Name: 3,3a,4,5-tetrahydro-2H-pentalen-1-one
SYSTEMATIC NAME: 3,3a,4,5-tetrahydro-2H-pentalen-1-one
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: C1CC2CCC(=O)C2=C1
Structure:
CAS RN: 85410-08-8
CAS Name: 3,3a,4,5-tetrahydro-2H-pentalen-1-one oxime
OPENEYE Name: 3,3a,4,5-tetrahydro-2H-pentalen-1-one oxime
IUPAC Name: (NE)-N-(3,3a,4,5-tetrahydro-2H-pentalen-1-ylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(3,3a,4,5-tetrahydro-2H-pentalen-1-ylidene)hydroxylamine
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: C1CC2CC/C(=N\O)/C2=C1
Structure:
CAS RN: 85409-39-8
CAS Name: N-[(2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)methyl]-2-methoxy-5-sulfamoylbenzamide hydrochloride
OPENEYE Name: N-[(2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide hydrochloride
IUPAC Name: N-[(2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)methyl]-2-methoxy-5-sulfamoylbenzamide hydrochloride
SYSTEMATIC NAME: N-[(2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl)methyl]-2-methoxy-5-sulfamoyl-benzamide hydrochloride
MOLECULAR FORMULA: C19H30ClN3O4S
MOLECULAR WEIGHT: 431.9772
SMILES: CCN1CC2CCCCC2C1CNC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)OC.Cl
Structure:
CAS RN: 85136-30-7
CAS Name: formic acid (3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalen-1-yl) ester
OPENEYE Name: (3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalen-1-yl) formate
IUPAC Name: (3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalen-1-yl) formate
SYSTEMATIC NAME: (3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalen-1-yl) methanoate
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: CC12CCCC1(C(CC2)OC=O)C
Structure:
CAS RN: 85099-36-1
CAS Name: 3-(4-methyl-1-cyclohexenyl)-1-butanamine
OPENEYE Name: 3-(4-methylcyclohexen-1-yl)butan-1-amine
IUPAC Name: 3-(4-methylcyclohexen-1-yl)butan-1-amine
SYSTEMATIC NAME: 3-(4-methylcyclohexen-1-yl)butan-1-amine
MOLECULAR FORMULA: C11H21N
MOLECULAR WEIGHT: 167.29114
SMILES: CC1CCC(=CC1)C(C)CCN
Structure:
CAS RN: 85099-35-0
CAS Name: 3-methyl-4-(4-methyl-1-cyclohex-3-enyl)-2-butanone
OPENEYE Name: 3-methyl-4-(4-methylcyclohex-3-en-1-yl)butan-2-one
IUPAC Name: 3-methyl-4-(4-methylcyclohex-3-en-1-yl)butan-2-one
SYSTEMATIC NAME: 3-methyl-4-(4-methylcyclohex-3-en-1-yl)butan-2-one
MOLECULAR FORMULA: C12H20O
MOLECULAR WEIGHT: 180.2866
SMILES: CC1=CCC(CC1)CC(C)C(=O)C
Structure:
CAS RN: 85006-15-1
CAS Name: N-[2-[(2E)-2-[(E)-3-(3-ethyl-4,5-dihydrothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]-1-oxoethyl]sulfamate; methane
OPENEYE Name: N-[2-[(2E)-2-[(E)-3-(3-ethyl-4,5-dihydrothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]acetyl]sulfamate; methane
IUPAC Name: N-[2-[(2E)-2-[(E)-3-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]acetyl]sulfamate; methane
SYSTEMATIC NAME: N-[2-[(2E)-2-[(E)-3-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanoyl]sulfamate; methane
MOLECULAR FORMULA: C18H23N3O4S3
MOLECULAR WEIGHT: 441.58792
SMILES: C.CC[N+]1=C(SCC1)/C=C/C=C/2\N(C3=CC=CC=C3S2)CC(=O)NS(=O)(=O)[O-]
Structure:
CAS RN: 85005-71-6
CAS Name: 3-[N-butyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]propanenitrile acetate
OPENEYE Name: 3-[N-butyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]propanenitrile acetate
IUPAC Name: 3-[N-butyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]propanenitrile acetate
SYSTEMATIC NAME: 3-[butyl-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]amino]propanenitrile ethanoate
MOLECULAR FORMULA: C24H29N5O3S
MOLECULAR WEIGHT: 467.58376
SMILES: CCCCN(CCC#N)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.CC(=O)[O-]
Structure:
CAS RN: 84963-43-9
CAS Name: 3-(dihexylphosphorylmethoxymethyl)heptane
OPENEYE Name: 3-(dihexylphosphorylmethoxymethyl)heptane
IUPAC Name: 3-(dihexylphosphorylmethoxymethyl)heptane
SYSTEMATIC NAME: 3-(dihexylphosphorylmethoxymethyl)heptane
MOLECULAR FORMULA: C21H45O2P
MOLECULAR WEIGHT: 360.554561
SMILES: CCCCCCP(=O)(CCCCCC)COCC(CC)CCCC
Structure:
CAS RN: 84946-17-8
CAS Name: 3-(2-bromoethyl)-2,7-dimethyl-4-pyrido[1,2-a]pyrimidinone
OPENEYE Name: 3-(2-bromoethyl)-2,7-dimethyl-pyrido[1,2-a]pyrimidin-4-one
IUPAC Name: 3-(2-bromoethyl)-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 3-(2-bromoethyl)-2,7-dimethyl-pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C12H13BrN2O
MOLECULAR WEIGHT: 281.14842
SMILES: CC1=CN2C(=NC(=C(C2=O)CCBr)C)C=C1
Structure:
CAS RN: 84878-19-3
CAS Name: butylammonium; 3-methyl-4-[(2Z)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate
OPENEYE Name: butylammonium; 3-methyl-4-[(2Z)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate
IUPAC Name: butylazanium; 3-methyl-4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
SYSTEMATIC NAME: butylazanium; 3-methyl-4-[(2Z)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
MOLECULAR FORMULA: C21H25N3O4S
MOLECULAR WEIGHT: 415.5059
SMILES: CCCC[NH3+].CC1=C(C=CC(=C1)S(=O)(=O)[O-])N/N=C/2\C(=O)C=CC3=CC=CC=C32
Structure:
CAS RN: 84625-56-9
CAS Name: 1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one hydrobromide
OPENEYE Name: 1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one hydrobromide
IUPAC Name: 1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one hydrobromide
SYSTEMATIC NAME: 1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one hydrobromide
MOLECULAR FORMULA: C12H11BrN2O
MOLECULAR WEIGHT: 279.13254
SMILES: CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1.Br
Structure:
CAS RN: 84604-64-8
CAS Name: 1-propan-2-yl-1,4,4a,5,6,7,8,8a-octahydro-2-benzopyran-3-one
OPENEYE Name: 1-isopropyl-1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
IUPAC Name: 1-propan-2-yl-1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
SYSTEMATIC NAME: 1-propan-2-yl-1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: CC(C)C1C2CCCCC2CC(=O)O1
Structure:
CAS RN: 84522-38-3
CAS Name: morpholin-4-ium; 2,2,4-trimethylpentanoate
OPENEYE Name: morpholin-4-ium; 2,2,4-trimethylpentanoate
IUPAC Name: morpholin-4-ium; 2,2,4-trimethylpentanoate
SYSTEMATIC NAME: morpholin-4-ium; 2,2,4-trimethylpentanoate
MOLECULAR FORMULA: C12H25NO3
MOLECULAR WEIGHT: 231.3318
SMILES: CC(C)CC(C)(C)C(=O)[O-].C1COCC[NH2+]1
Structure:
No comments:
Post a Comment