CAS RN: 194851-16-6
CAS Name: 7-bromo-1H-quinazolin-4-one
OPENEYE Name: 7-bromo-1H-quinazolin-4-one
IUPAC Name: 7-bromo-1H-quinazolin-4-one
SYSTEMATIC NAME: 7-bromanyl-1H-quinazolin-4-one
MOLECULAR FORMULA: C8H5BrN2O
MOLECULAR WEIGHT: 225.0421
SMILES: C1=CC2=C(C=C1Br)NC=NC2=O
Structure:
CAS RN: 84540-61-4
CAS Name: 1-methyl-4-piperidinone oxime hydrochloride
OPENEYE Name: 1-methylpiperidin-4-one oxime hydrochloride
IUPAC Name: N-(1-methylpiperidin-4-ylidene)hydroxylamine hydrochloride
SYSTEMATIC NAME: N-(1-methylpiperidin-4-ylidene)hydroxylamine hydrochloride
MOLECULAR FORMULA: C6H13ClN2O
MOLECULAR WEIGHT: 164.63322
SMILES: CN1CCC(=NO)CC1.Cl
Structure:
CAS RN: 38984-68-8
CAS Name: 2,2-dimethyl-4-thiazolidinecarboxylic acid hydrochloride
OPENEYE Name: 2,2-dimethylthiazolidine-4-carboxylic acid hydrochloride
IUPAC Name: 2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid hydrochloride
SYSTEMATIC NAME: 2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid hydrochloride
MOLECULAR FORMULA: C6H12ClNO2S
MOLECULAR WEIGHT: 197.68298
SMILES: CC1(NC(CS1)C(=O)O)C.Cl
Structure:
CAS RN: 78886-45-0
CAS Name: (4-methyl-2-thiazolyl)hydrazine hydrochloride
OPENEYE Name: (4-methylthiazol-2-yl)hydrazine hydrochloride
IUPAC Name: (4-methyl-1,3-thiazol-2-yl)hydrazine hydrochloride
SYSTEMATIC NAME: (4-methyl-1,3-thiazol-2-yl)diazane hydrochloride
MOLECULAR FORMULA: C4H8ClN3S
MOLECULAR WEIGHT: 165.64442
SMILES: CC1=CSC(=N1)NN.Cl
Structure:
CAS RN: 5398-26-5
CAS Name: 3-pentanamine hydrochloride
OPENEYE Name: pentan-3-amine hydrochloride
IUPAC Name: pentan-3-amine hydrochloride
SYSTEMATIC NAME: pentan-3-amine hydrochloride
MOLECULAR FORMULA: C5H14ClN
MOLECULAR WEIGHT: 123.62436
SMILES: CCC(CC)N.Cl
Structure:
CAS RN: 3797-84-0
CAS Name: 2,6-dichlorobenzenecarboximidamide hydrochloride
OPENEYE Name: 2,6-dichlorobenzamidine hydrochloride
IUPAC Name: 2,6-dichlorobenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 2,6-bis(chloranyl)benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C7H7Cl3N2
MOLECULAR WEIGHT: 225.50288
SMILES: C1=CC(=C(C(=C1)Cl)C(=N)N)Cl.Cl
Structure:
CAS RN: 74461-35-1
CAS Name: 1-(1H-benzimidazol-2-yl)ethanamine hydrochloride
OPENEYE Name: 1-(1H-benzimidazol-2-yl)ethanamine hydrochloride
IUPAC Name: 1-(1H-benzimidazol-2-yl)ethanamine hydrochloride
SYSTEMATIC NAME: 1-(1H-benzimidazol-2-yl)ethanamine hydrochloride
MOLECULAR FORMULA: C9H12ClN3
MOLECULAR WEIGHT: 197.66468
SMILES: CC(C1=NC2=CC=CC=C2N1)N.Cl
Structure:
CAS RN: 20188-40-3
CAS Name: 4-(aminomethyl)benzamide hydrochloride
OPENEYE Name: 4-(aminomethyl)benzamide hydrochloride
IUPAC Name: 4-(aminomethyl)benzamide hydrochloride
SYSTEMATIC NAME: 4-(aminomethyl)benzamide hydrochloride
MOLECULAR FORMULA: C8H11ClN2O
MOLECULAR WEIGHT: 186.63874
SMILES: C1=CC(=CC=C1CN)C(=O)N.Cl
Structure:
CAS RN: 19579-42-1
CAS Name: 1-(diaminomethylidene)-2-(3-methylphenyl)guanidine hydrochloride
OPENEYE Name: 1-(diaminomethylene)-2-(m-tolyl)guanidine hydrochloride
IUPAC Name: 1-(diaminomethylidene)-2-(3-methylphenyl)guanidine hydrochloride
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(3-methylphenyl)guanidine hydrochloride
MOLECULAR FORMULA: C9H14ClN5
MOLECULAR WEIGHT: 227.69396
SMILES: CC1=CC(=CC=C1)N=C(N)N=C(N)N.Cl
Structure:
CAS RN: 34985-47-2
CAS Name: 7-methoxy-1H-indene
OPENEYE Name: 7-methoxy-1H-indene
IUPAC Name: 7-methoxy-1H-indene
SYSTEMATIC NAME: 7-methoxy-1H-indene
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: COC1=CC=CC2=C1CC=C2
Structure:
CAS RN: 3970-51-2
CAS Name: 5-chloro-1H-indene
OPENEYE Name: 5-chloro-1H-indene
IUPAC Name: 5-chloro-1H-indene
SYSTEMATIC NAME: 5-chloranyl-1H-indene
MOLECULAR FORMULA: C9H7Cl
MOLECULAR WEIGHT: 150.60488
SMILES: C1C=CC2=C1C=CC(=C2)Cl
Structure:
CAS RN: 939760-68-6
CAS Name: 4,6-difluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
OPENEYE Name: 4,6-difluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
IUPAC Name: 4,6-difluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
SYSTEMATIC NAME: 4,6-bis(fluoranyl)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
MOLECULAR FORMULA: C10H8F2O
MOLECULAR WEIGHT: 182.166726
SMILES: C1CC2=C(C=C(C=C2C3C1O3)F)F
Structure:
CAS RN: 112257-20-2
CAS Name: 3-amino-1-azetidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 3-aminoazetidine-1-carboxylate
IUPAC Name: benzyl 3-aminoazetidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 3-azanylazetidine-1-carboxylate
MOLECULAR FORMULA: C11H14N2O2
MOLECULAR WEIGHT: 206.24106
SMILES: C1C(CN1C(=O)OCC2=CC=CC=C2)N
Structure:
CAS RN: 2602-45-1
CAS Name: 4-(phenylmethyl)-2,3-dihydro-1H-quinoxaline
OPENEYE Name: 4-benzyl-2,3-dihydro-1H-quinoxaline
IUPAC Name: 4-benzyl-2,3-dihydro-1H-quinoxaline
SYSTEMATIC NAME: 4-(phenylmethyl)-2,3-dihydro-1H-quinoxaline
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: C1CN(C2=CC=CC=C2N1)CC3=CC=CC=C3
Structure:
CAS RN: 136081-50-0
CAS Name: 6-oxo-7,8-dihydro-5H-naphthalene-2-carbonitrile
OPENEYE Name: 2-oxotetralin-6-carbonitrile
IUPAC Name: 6-oxo-7,8-dihydro-5H-naphthalene-2-carbonitrile
SYSTEMATIC NAME: 6-oxidanylidene-7,8-dihydro-5H-naphthalene-2-carbonitrile
MOLECULAR FORMULA: C11H9NO
MOLECULAR WEIGHT: 171.19526
SMILES: C1CC2=C(CC1=O)C=CC(=C2)C#N
Structure:
CAS RN: 939759-27-0
CAS Name: 7-fluoro-3-benzofuranone
OPENEYE Name: 7-fluorobenzofuran-3-one
IUPAC Name: 7-fluoro-1-benzofuran-3-one
SYSTEMATIC NAME: 7-fluoranyl-1-benzofuran-3-one
MOLECULAR FORMULA: C8H5FO2
MOLECULAR WEIGHT: 152.122503
SMILES: C1C(=O)C2=C(O1)C(=CC=C2)F
Structure:
CAS RN: 864373-47-7
CAS Name: 2-oxetanecarboxylic acid
OPENEYE Name: oxetane-2-carboxylic acid
IUPAC Name: oxetane-2-carboxylic acid
SYSTEMATIC NAME: oxetane-2-carboxylic acid
MOLECULAR FORMULA: C4H6O3
MOLECULAR WEIGHT: 102.08864
SMILES: C1COC1C(=O)O
Structure:
CAS RN: 939759-23-6
CAS Name: 2-(bromomethyl)oxetane
OPENEYE Name: 2-(bromomethyl)oxetane
IUPAC Name: 2-(bromomethyl)oxetane
SYSTEMATIC NAME: 2-(bromomethyl)oxetane
MOLECULAR FORMULA: C4H7BrO
MOLECULAR WEIGHT: 151.00178
SMILES: C1COC1CBr
Structure:
CAS RN: 39267-79-3
CAS Name: 3-bromooxetane
OPENEYE Name: 3-bromooxetane
IUPAC Name: 3-bromooxetane
SYSTEMATIC NAME: 3-bromanyloxetane
MOLECULAR FORMULA: C3H5BrO
MOLECULAR WEIGHT: 136.9752
SMILES: C1C(CO1)Br
Structure:
CAS RN: 58960-11-5
CAS Name: 6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
OPENEYE Name: 6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
IUPAC Name: 6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
SYSTEMATIC NAME: 6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: COC1=CC2=C(C=C1)OCCN2
Structure:
CAS RN: 7555-94-4
CAS Name: 4-methoxy-2,3-dihydro-1H-indole
OPENEYE Name: 4-methoxyindoline
IUPAC Name: 4-methoxy-2,3-dihydro-1H-indole
SYSTEMATIC NAME: 4-methoxy-2,3-dihydro-1H-indole
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: COC1=CC=CC2=C1CCN2
Structure:
CAS RN: 638220-39-0
CAS Name: 6-methyl-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 6-methylchroman-4-amine
IUPAC Name: 6-methyl-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 6-methyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC1=CC2=C(C=C1)OCCC2N
Structure:
CAS RN: 1018978-88-5
CAS Name: 6-methyl-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 6-methylchroman-4-amine
IUPAC Name: 6-methyl-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 6-methyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC1=CC2=C(C=C1)OCCC2N
Structure:
CAS RN: 756818-55-0
CAS Name: 6-methyl-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 6-methylchroman-4-amine
IUPAC Name: 6-methyl-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 6-methyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC1=CC2=C(C=C1)OCCC2N
Structure:
CAS RN: 1018978-85-2
CAS Name: 6-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 6-fluorochroman-4-amine
IUPAC Name: 6-fluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 6-fluoranyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H10FNO
MOLECULAR WEIGHT: 167.180203
SMILES: C1COC2=C(C1N)C=C(C=C2)F
Structure:
CAS RN: 238764-22-2
CAS Name: 6-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 6-fluorochroman-4-amine
IUPAC Name: 6-fluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 6-fluoranyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H10FNO
MOLECULAR WEIGHT: 167.180203
SMILES: C1COC2=C(C1N)C=C(C=C2)F
Structure:
CAS RN: 911825-61-1
CAS Name: 6-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 6-fluorochroman-4-amine
IUPAC Name: 6-fluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 6-fluoranyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H10FNO
MOLECULAR WEIGHT: 167.180203
SMILES: C1COC2=C(C1N)C=C(C=C2)F
Structure:
CAS RN: 1145685-65-9
CAS Name: 8-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 8-(trifluoromethyl)chroman-4-amine
IUPAC Name: 8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C10H10F3NO
MOLECULAR WEIGHT: 217.18771
SMILES: C1COC2=C(C1N)C=CC=C2C(F)(F)F
Structure:
CAS RN: 1228569-07-0
CAS Name: 8-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 8-(trifluoromethyl)chroman-4-amine
IUPAC Name: 8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C10H10F3NO
MOLECULAR WEIGHT: 217.18771
SMILES: C1COC2=C(C1N)C=CC=C2C(F)(F)F
Structure:
CAS RN: 890839-70-0
CAS Name: 8-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 8-(trifluoromethyl)chroman-4-amine
IUPAC Name: 8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C10H10F3NO
MOLECULAR WEIGHT: 217.18771
SMILES: C1COC2=C(C1N)C=CC=C2C(F)(F)F
Structure:
CAS RN: 791043-28-2
CAS Name: 8-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 8-fluorochroman-4-amine
IUPAC Name: 8-fluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 8-fluoranyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H10FNO
MOLECULAR WEIGHT: 167.180203
SMILES: C1COC2=C(C1N)C=CC=C2F
Structure:
CAS RN: 1003887-62-4
CAS Name: 8-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 8-fluorochroman-4-amine
IUPAC Name: 8-fluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 8-fluoranyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H10FNO
MOLECULAR WEIGHT: 167.180203
SMILES: C1COC2=C(C1N)C=CC=C2F
Structure:
CAS RN: 750571-31-4
CAS Name: 8-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine
OPENEYE Name: 8-fluorochroman-4-amine
IUPAC Name: 8-fluoro-3,4-dihydro-2H-chromen-4-amine
SYSTEMATIC NAME: 8-fluoranyl-3,4-dihydro-2H-chromen-4-amine
MOLECULAR FORMULA: C9H10FNO
MOLECULAR WEIGHT: 167.180203
SMILES: C1COC2=C(C1N)C=CC=C2F
Structure:
CAS RN: 345264-61-1
CAS Name: 5-fluoro-1,2,3,4-tetrahydroquinoline
OPENEYE Name: 5-fluoro-1,2,3,4-tetrahydroquinoline
IUPAC Name: 5-fluoro-1,2,3,4-tetrahydroquinoline
SYSTEMATIC NAME: 5-fluoranyl-1,2,3,4-tetrahydroquinoline
MOLECULAR FORMULA: C9H10FN
MOLECULAR WEIGHT: 151.180803
SMILES: C1CC2=C(C=CC=C2F)NC1
Structure:
CAS RN: 865472-04-4
CAS Name: 7-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
OPENEYE Name: 7-bromotetralin-1-amine
IUPAC Name: 7-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
SYSTEMATIC NAME: 7-bromanyl-1,2,3,4-tetrahydronaphthalen-1-amine
MOLECULAR FORMULA: C10H12BrN
MOLECULAR WEIGHT: 226.11298
SMILES: C1CC(C2=C(C1)C=CC(=C2)Br)N
Structure:
CAS RN: 907973-36-8
CAS Name: 6-bromo-2,3-dihydro-1H-inden-1-amine
OPENEYE Name: 6-bromoindan-1-amine
IUPAC Name: 6-bromo-2,3-dihydro-1H-inden-1-amine
SYSTEMATIC NAME: 6-bromanyl-2,3-dihydro-1H-inden-1-amine
MOLECULAR FORMULA: C9H10BrN
MOLECULAR WEIGHT: 212.0864
SMILES: C1CC2=C(C1N)C=C(C=C2)Br
Structure:
CAS RN: 928821-18-5
CAS Name: 1-propan-2-yl-5-indazolamine
OPENEYE Name: 1-isopropylindazol-5-amine
IUPAC Name: 1-propan-2-ylindazol-5-amine
SYSTEMATIC NAME: 1-propan-2-ylindazol-5-amine
MOLECULAR FORMULA: C10H13N3
MOLECULAR WEIGHT: 175.23032
SMILES: CC(C)N1C2=C(C=C(C=C2)N)C=N1
Structure:
CAS RN: 481075-58-5
CAS Name: 2-bromo-1-iodo-4-(trifluoromethyl)benzene
OPENEYE Name: 2-bromo-1-iodo-4-(trifluoromethyl)benzene
IUPAC Name: 2-bromo-1-iodo-4-(trifluoromethyl)benzene
SYSTEMATIC NAME: 2-bromanyl-1-iodanyl-4-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H3BrF3I
MOLECULAR WEIGHT: 350.9024
SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)I
Structure:
CAS RN: 939758-24-4
CAS Name: 4-(2-methoxyphenyl)-3-pyrrolidinecarboxylic acid methyl ester
OPENEYE Name: methyl 4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
IUPAC Name: methyl 4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
SYSTEMATIC NAME: methyl 4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: COC1=CC=CC=C1C2CNCC2C(=O)OC
Structure:
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