CAS RN: 76721-90-9
CAS Name: 4-nitro-N-(pentan-3-ylideneamino)aniline
OPENEYE Name: N-(1-ethylpropylideneamino)-4-nitro-aniline
IUPAC Name: 4-nitro-N-(pentan-3-ylideneamino)aniline
SYSTEMATIC NAME: 4-nitro-N-(pentan-3-ylideneamino)aniline
MOLECULAR FORMULA: C11H15N3O2
MOLECULAR WEIGHT: 221.2557
SMILES: CCC(=NNC1=CC=C(C=C1)[N+](=O)[O-])CC
Structure:
CAS RN: 2316-50-9
CAS Name: 2-bromo-4,6-dinitrophenol
OPENEYE Name: 2-bromo-4,6-dinitro-phenol
IUPAC Name: 2-bromo-4,6-dinitrophenol
SYSTEMATIC NAME: 2-bromanyl-4,6-dinitro-phenol
MOLECULAR FORMULA: C6H3BrN2O5
MOLECULAR WEIGHT: 263.00242
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)Br)[N+](=O)[O-]
Structure:
CAS RN: 124-98-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H43NO8
MOLECULAR WEIGHT: 509.63222
SMILES: CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3CN2C1)O)OC6(C(CC7)O)O)C)O)O)O)(C)O
Structure:
CAS RN: 5876-23-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H43NO8
MOLECULAR WEIGHT: 509.63222
SMILES: CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3CN2C1)O)OC6(C(CC7)O)O)C)O)O)O)(C)O
Structure:
CAS RN: 481-71-0
CAS Name: 7-methylfuro[3,2-g][1]benzopyran-4,5,9-trione
OPENEYE Name: 7-methylfuro[3,2-g]chromene-4,5,9-trione
IUPAC Name: 7-methylfuro[3,2-g]chromene-4,5,9-trione
SYSTEMATIC NAME: 7-methylfuro[3,2-g]chromene-4,5,9-trione
MOLECULAR FORMULA: C12H6O5
MOLECULAR WEIGHT: 230.17304
SMILES: CC1=CC(=O)C2=C(O1)C(=O)C3=C(C2=O)C=CO3
Structure:
CAS RN: 370-00-3
CAS Name: 4-(2-aminoethyl)-2,6-diiodophenol
OPENEYE Name: 4-(2-aminoethyl)-2,6-diiodo-phenol
IUPAC Name: 4-(2-aminoethyl)-2,6-diiodophenol
SYSTEMATIC NAME: 4-(2-azanylethyl)-2,6-bis(iodanyl)phenol
MOLECULAR FORMULA: C8H9I2NO
MOLECULAR WEIGHT: 388.9721
SMILES: C1=C(C=C(C(=C1I)O)I)CCN
Structure:
CAS RN: 560-30-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H26N2O5
MOLECULAR WEIGHT: 410.46294
SMILES: COC1=C(C=C2C(=C1)C34CCN5C3(CC6C7C4N2C(=O)CC7OCC=C6C5)O)OC
Structure:
CAS RN: 837-75-2
CAS Name: 7-methoxy-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
OPENEYE Name: 7-methoxy-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
IUPAC Name: 7-methoxy-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SYSTEMATIC NAME: 7-methoxy-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
MOLECULAR FORMULA: C14H18N2O
MOLECULAR WEIGHT: 230.30552
SMILES: CC1C2=C(CCN1C)C3=C(N2)C=C(C=C3)OC
Structure:
CAS RN: 33278-96-5
CAS Name: 2-(bromomethyl)-2-methyl-1,3-dioxolane
OPENEYE Name: 2-(bromomethyl)-2-methyl-1,3-dioxolane
IUPAC Name: 2-(bromomethyl)-2-methyl-1,3-dioxolane
SYSTEMATIC NAME: 2-(bromomethyl)-2-methyl-1,3-dioxolane
MOLECULAR FORMULA: C5H9BrO2
MOLECULAR WEIGHT: 181.02776
SMILES: CC1(OCCO1)CBr
Structure:
CAS RN: 68606-28-0
CAS Name: 1,5-dichloro-2-methyl-4-(2-methylprop-2-enoxy)benzene
OPENEYE Name: 1,5-dichloro-2-methyl-4-(2-methylallyloxy)benzene
IUPAC Name: 1,5-dichloro-2-methyl-4-(2-methylprop-2-enoxy)benzene
SYSTEMATIC NAME: 1,5-bis(chloranyl)-2-methyl-4-(2-methylprop-2-enoxy)benzene
MOLECULAR FORMULA: C11H12Cl2O
MOLECULAR WEIGHT: 231.11838
SMILES: CC1=CC(=C(C=C1Cl)Cl)OCC(=C)C
Structure:
CAS RN: 13922-45-7
CAS Name: 6-[(dimethylamino)methyl]-5-hydroxy-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-[(dimethylamino)methyl]-5-hydroxy-1H-pyrimidine-2,4-dione
IUPAC Name: 6-[(dimethylamino)methyl]-5-hydroxy-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-[(dimethylamino)methyl]-5-oxidanyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H11N3O3
MOLECULAR WEIGHT: 185.18054
SMILES: CN(C)CC1=C(C(=O)NC(=O)N1)O
Structure:
CAS RN: 88843-33-8
CAS Name: 1,3-dimethylpyrazolo[3,4-d]pyrimidine
OPENEYE Name: 1,3-dimethylpyrazolo[3,4-d]pyrimidine
IUPAC Name: 1,3-dimethylpyrazolo[3,4-d]pyrimidine
SYSTEMATIC NAME: 1,3-dimethylpyrazolo[3,4-d]pyrimidine
MOLECULAR FORMULA: C7H8N4
MOLECULAR WEIGHT: 148.16522
SMILES: CC1=NN(C2=NC=NC=C12)C
Structure:
CAS RN: 105148-04-7
CAS Name: acetic acid [3-(4-methoxyphenyl)-2H-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(4-methoxyphenyl)-2H-chromen-7-yl] acetate
IUPAC Name: [3-(4-methoxyphenyl)-2H-chromen-7-yl] acetate
SYSTEMATIC NAME: [3-(4-methoxyphenyl)-2H-chromen-7-yl] ethanoate
MOLECULAR FORMULA: C18H16O4
MOLECULAR WEIGHT: 296.31724
SMILES: CC(=O)OC1=CC2=C(C=C1)C=C(CO2)C3=CC=C(C=C3)OC
Structure:
CAS RN: 6520-59-8
CAS Name: 1,3-dimethyl-8-[(phenylthio)methyl]-7H-purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione
IUPAC Name: 1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-8-(phenylsulfanylmethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C14H14N4O2S
MOLECULAR WEIGHT: 302.35156
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CSC3=CC=CC=C3
Structure:
CAS RN: 65202-72-4
CAS Name: 8-(mercaptomethyl)-1,3-dimethyl-7H-purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-8-(sulfanylmethyl)-7H-purine-2,6-dione
IUPAC Name: 1,3-dimethyl-8-(sulfanylmethyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-8-(sulfanylmethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C8H10N4O2S
MOLECULAR WEIGHT: 226.2556
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CS
Structure:
CAS RN: 575-04-2
CAS Name: 1-[2-(2-naphthalenylmethyl)phenyl]-3-phenyl-1-propanone
OPENEYE Name: 1-[2-(2-naphthylmethyl)phenyl]-3-phenyl-propan-1-one
IUPAC Name: 1-[2-(naphthalen-2-ylmethyl)phenyl]-3-phenylpropan-1-one
SYSTEMATIC NAME: 1-[2-(naphthalen-2-ylmethyl)phenyl]-3-phenyl-propan-1-one
MOLECULAR FORMULA: C26H22O
MOLECULAR WEIGHT: 350.45228
SMILES: C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2CC3=CC4=CC=CC=C4C=C3
Structure:
CAS RN: 70912-52-6
CAS Name: 12-(3,5-dimethylphenyl)benzo[a]anthracene
OPENEYE Name: 12-(3,5-dimethylphenyl)benzo[a]anthracene
IUPAC Name: 12-(3,5-dimethylphenyl)benzo[a]anthracene
SYSTEMATIC NAME: 12-(3,5-dimethylphenyl)benzo[a]anthracene
MOLECULAR FORMULA: C26H20
MOLECULAR WEIGHT: 332.437
SMILES: CC1=CC(=CC(=C1)C2=C3C(=CC4=CC=CC=C42)C=CC5=CC=CC=C53)C
Structure:
CAS RN: 15627-09-5
CAS Name: (2-chlorophenyl)-[2-(1-naphthalenylmethyl)phenyl]methanone
OPENEYE Name: (2-chlorophenyl)-[2-(1-naphthylmethyl)phenyl]methanone
IUPAC Name: (2-chlorophenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanone
SYSTEMATIC NAME: (2-chlorophenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanone
MOLECULAR FORMULA: C24H17ClO
MOLECULAR WEIGHT: 356.84418
SMILES: C1=CC=C2C(=C1)C=CC=C2CC3=CC=CC=C3C(=O)C4=CC=CC=C4Cl
Structure:
CAS RN: 4487-42-7
CAS Name: [2-[oxo-[3-(trifluoromethyl)phenyl]methyl]phenyl]-phenylmethanone
OPENEYE Name: phenyl-[2-[3-(trifluoromethyl)benzoyl]phenyl]methanone
IUPAC Name: phenyl-[2-[3-(trifluoromethyl)benzoyl]phenyl]methanone
SYSTEMATIC NAME: phenyl-[2-[3-(trifluoromethyl)phenyl]carbonylphenyl]methanone
MOLECULAR FORMULA: C21H13F3O2
MOLECULAR WEIGHT: 354.32193
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)C3=CC(=CC=C3)C(F)(F)F
Structure:
CAS RN: 80900-76-1
CAS Name: [2-[(2-fluorophenyl)-oxomethyl]phenyl]-phenylmethanone
OPENEYE Name: [2-(2-fluorobenzoyl)phenyl]-phenyl-methanone
IUPAC Name: [2-(2-fluorobenzoyl)phenyl]-phenylmethanone
SYSTEMATIC NAME: [2-(2-fluorophenyl)carbonylphenyl]-phenyl-methanone
MOLECULAR FORMULA: C20H13FO2
MOLECULAR WEIGHT: 304.314423
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3F
Structure:
CAS RN: 390-41-0
CAS Name: [2-[(4-fluorophenyl)-oxomethyl]phenyl]-phenylmethanone
OPENEYE Name: [2-(4-fluorobenzoyl)phenyl]-phenyl-methanone
IUPAC Name: [2-(4-fluorobenzoyl)phenyl]-phenylmethanone
SYSTEMATIC NAME: [2-(4-fluorophenyl)carbonylphenyl]-phenyl-methanone
MOLECULAR FORMULA: C20H13FO2
MOLECULAR WEIGHT: 304.314423
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)F
Structure:
CAS RN: 58262-51-4
CAS Name: [2-[(4-chlorophenyl)-oxomethyl]phenyl]-phenylmethanone
OPENEYE Name: [2-(4-chlorobenzoyl)phenyl]-phenyl-methanone
IUPAC Name: [2-(4-chlorobenzoyl)phenyl]-phenylmethanone
SYSTEMATIC NAME: [2-(4-chlorophenyl)carbonylphenyl]-phenyl-methanone
MOLECULAR FORMULA: C20H13ClO2
MOLECULAR WEIGHT: 320.76902
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 5691-34-9
CAS Name: 2-(7-benzo[a]anthracenyl)-1-benzothiophene
OPENEYE Name: 2-benzo[a]anthracen-7-ylbenzothiophene
IUPAC Name: 2-benzo[a]anthracen-7-yl-1-benzothiophene
SYSTEMATIC NAME: 2-benzo[a]anthracen-7-yl-1-benzothiophene
MOLECULAR FORMULA: C26H16S
MOLECULAR WEIGHT: 360.47024
SMILES: C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=CC6=CC=CC=C6S5
Structure:
CAS RN: 75044-69-8
CAS Name: [2-[(3-methylphenyl)methyl]phenyl]-(1-naphthalenyl)methanone
OPENEYE Name: [2-(m-tolylmethyl)phenyl]-(1-naphthyl)methanone
IUPAC Name: [2-[(3-methylphenyl)methyl]phenyl]-naphthalen-1-ylmethanone
SYSTEMATIC NAME: [2-[(3-methylphenyl)methyl]phenyl]-naphthalen-1-yl-methanone
MOLECULAR FORMULA: C25H20O
MOLECULAR WEIGHT: 336.4257
SMILES: CC1=CC(=CC=C1)CC2=CC=CC=C2C(=O)C3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 124532-10-1
CAS Name: [2-(2-naphthalenylmethyl)phenyl]-thiophen-2-ylmethanimine
OPENEYE Name: [2-(2-naphthylmethyl)phenyl]-(2-thienyl)methanimine
IUPAC Name: [2-(naphthalen-2-ylmethyl)phenyl]-thiophen-2-ylmethanimine
SYSTEMATIC NAME: [2-(naphthalen-2-ylmethyl)phenyl]-thiophen-2-yl-methanimine
MOLECULAR FORMULA: C22H17NS
MOLECULAR WEIGHT: 327.44208
SMILES: C1=CC=C2C=C(C=CC2=C1)CC3=CC=CC=C3C(=N)C4=CC=CS4
Structure:
CAS RN: 1236-28-8
CAS Name: 3-(7-benzo[a]anthracenyl)thiophene
OPENEYE Name: 3-benzo[a]anthracen-7-ylthiophene
IUPAC Name: 3-benzo[a]anthracen-7-ylthiophene
SYSTEMATIC NAME: 3-benzo[a]anthracen-7-ylthiophene
MOLECULAR FORMULA: C22H14S
MOLECULAR WEIGHT: 310.41156
SMILES: C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=CSC=C5
Structure:
CAS RN: 39723-64-3
CAS Name: [2-(phenylmethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
OPENEYE Name: (2-benzylphenyl)-[3-(trifluoromethyl)phenyl]methanone
IUPAC Name: (2-benzylphenyl)-[3-(trifluoromethyl)phenyl]methanone
SYSTEMATIC NAME: [2-(phenylmethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
MOLECULAR FORMULA: C21H15F3O
MOLECULAR WEIGHT: 340.33841
SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)C3=CC(=CC=C3)C(F)(F)F
Structure:
CAS RN: 39723-66-5
CAS Name: [2-[(4-fluorophenyl)methyl]phenyl]-phenylmethanone
OPENEYE Name: [2-[(4-fluorophenyl)methyl]phenyl]-phenyl-methanone
IUPAC Name: [2-[(4-fluorophenyl)methyl]phenyl]-phenylmethanone
SYSTEMATIC NAME: [2-[(4-fluorophenyl)methyl]phenyl]-phenyl-methanone
MOLECULAR FORMULA: C20H15FO
MOLECULAR WEIGHT: 290.330903
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2CC3=CC=C(C=C3)F
Structure:
CAS RN: 39719-63-6
CAS Name: (3-fluorophenyl)-[2-(phenylmethyl)phenyl]methanone
OPENEYE Name: (2-benzylphenyl)-(3-fluorophenyl)methanone
IUPAC Name: (2-benzylphenyl)-(3-fluorophenyl)methanone
SYSTEMATIC NAME: (3-fluorophenyl)-[2-(phenylmethyl)phenyl]methanone
MOLECULAR FORMULA: C20H15FO
MOLECULAR WEIGHT: 290.330903
SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)C3=CC(=CC=C3)F
Structure:
CAS RN: 18903-01-0
CAS Name: (4-chlorophenyl)-[2-(phenylmethyl)phenyl]methanone
OPENEYE Name: (2-benzylphenyl)-(4-chlorophenyl)methanone
IUPAC Name: (2-benzylphenyl)-(4-chlorophenyl)methanone
SYSTEMATIC NAME: (4-chlorophenyl)-[2-(phenylmethyl)phenyl]methanone
MOLECULAR FORMULA: C20H15ClO
MOLECULAR WEIGHT: 306.7855
SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 42478-33-1
CAS Name: (2-chlorophenyl)-(1-naphthalenyl)methanol
OPENEYE Name: (2-chlorophenyl)-(1-naphthyl)methanol
IUPAC Name: (2-chlorophenyl)-naphthalen-1-ylmethanol
SYSTEMATIC NAME: (2-chlorophenyl)-naphthalen-1-yl-methanol
MOLECULAR FORMULA: C17H13ClO
MOLECULAR WEIGHT: 268.73752
SMILES: C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC=C3Cl)O
Structure:
CAS RN: 38809-73-3
CAS Name: (2-chlorophenyl)-(2-methylphenyl)methanol
OPENEYE Name: (2-chlorophenyl)-(o-tolyl)methanol
IUPAC Name: (2-chlorophenyl)-(2-methylphenyl)methanol
SYSTEMATIC NAME: (2-chlorophenyl)-(2-methylphenyl)methanol
MOLECULAR FORMULA: C14H13ClO
MOLECULAR WEIGHT: 232.70542
SMILES: CC1=CC=CC=C1C(C2=CC=CC=C2Cl)O
Structure:
CAS RN: 91968-83-1
CAS Name: 2-[(2-chlorophenyl)methyl]thiophene
OPENEYE Name: 2-[(2-chlorophenyl)methyl]thiophene
IUPAC Name: 2-[(2-chlorophenyl)methyl]thiophene
SYSTEMATIC NAME: 2-[(2-chlorophenyl)methyl]thiophene
MOLECULAR FORMULA: C11H9ClS
MOLECULAR WEIGHT: 208.70716
SMILES: C1=CC=C(C(=C1)CC2=CC=CS2)Cl
Structure:
CAS RN: 2862-16-0
CAS Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-pyrrolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-pyrrolo[2,3-d]pyrimidin-4-one
IUPAC Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C11H13N3O5
MOLECULAR WEIGHT: 267.23802
SMILES: C1=CN(C2=C1C(=O)N=CN2)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 33310-52-0
CAS Name: 1-(2-fluoroethyl)-3-phenylurea
OPENEYE Name: 1-(2-fluoroethyl)-3-phenyl-urea
IUPAC Name: 1-(2-fluoroethyl)-3-phenylurea
SYSTEMATIC NAME: 1-(2-fluoranylethyl)-3-phenyl-urea
MOLECULAR FORMULA: C9H11FN2O
MOLECULAR WEIGHT: 182.194843
SMILES: C1=CC=C(C=C1)NC(=O)NCCF
Structure:
CAS RN: 93263-07-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H9N5
MOLECULAR WEIGHT: 187.20126
SMILES: CN1C=NC2=NC3=C(C=C21)N(C=N3)C
Structure:
CAS RN: 94159-12-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H9N5
MOLECULAR WEIGHT: 187.20126
SMILES: CN1C=NC2=NC3=C(C=C21)N(C=N3)C
Structure:
CAS RN: 6501-77-5
CAS Name: 6-nitro-2,1-benzoxazole-3-carboxylic acid
OPENEYE Name: 6-nitro-2,1-benzoxazole-3-carboxylic acid
IUPAC Name: 6-nitro-2,1-benzoxazole-3-carboxylic acid
SYSTEMATIC NAME: 6-nitro-2,1-benzoxazole-3-carboxylic acid
MOLECULAR FORMULA: C8H4N2O5
MOLECULAR WEIGHT: 208.12776
SMILES: C1=CC2=C(ON=C2C=C1[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 17006-17-6
CAS Name: 1-(2-phenylphenyl)ethanol
OPENEYE Name: 1-(2-phenylphenyl)ethanol
IUPAC Name: 1-(2-phenylphenyl)ethanol
SYSTEMATIC NAME: 1-(2-phenylphenyl)ethanol
MOLECULAR FORMULA: C14H14O
MOLECULAR WEIGHT: 198.26036
SMILES: CC(C1=CC=CC=C1C2=CC=CC=C2)O
Structure:
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