Friday, July 20, 2012

http://ChemLookup.com Compounds




CAS RN: 27023-72-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12N2
MOLECULAR WEIGHT: 160.21568
SMILES: C1CN2CC1NC3=CC=CC=C32
Structure:

CAS RN: 27165-17-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12N2
MOLECULAR WEIGHT: 160.21568
SMILES: C1CN2CC1NC3=CC=CC=C32
Structure:

CAS RN: 14334-10-2
CAS Name: 6-(4-morpholinyl)quinoxaline-5,8-dione
OPENEYE Name: 6-morpholinoquinoxaline-5,8-dione
IUPAC Name: 6-morpholin-4-ylquinoxaline-5,8-dione
SYSTEMATIC NAME: 6-morpholin-4-ylquinoxaline-5,8-dione
MOLECULAR FORMULA: C12H11N3O3
MOLECULAR WEIGHT: 245.23404
SMILES: C1COCCN1C2=CC(=O)C3=NC=CN=C3C2=O
Structure:

CAS RN: 1975-41-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14N4O2
MOLECULAR WEIGHT: 258.27586
SMILES: C1CC2CC1C3C2N(N=N3)C4=CC=C(C=C4)[N+](=O)[O-]
Structure:

CAS RN: 958-17-8
CAS Name: 3-(phenylmethyl)-1,2,3-benzotriazin-4-imine
OPENEYE Name: 3-benzyl-1,2,3-benzotriazin-4-imine
IUPAC Name: 3-benzyl-1,2,3-benzotriazin-4-imine
SYSTEMATIC NAME: 3-(phenylmethyl)-1,2,3-benzotriazin-4-imine
MOLECULAR FORMULA: C14H12N4
MOLECULAR WEIGHT: 236.27188
SMILES: C1=CC=C(C=C1)CN2C(=N)C3=CC=CC=C3N=N2
Structure:

CAS RN: 97729-49-2
CAS Name: 3-(phenylmethyl)-1,2,3-benzotriazin-4-imine
OPENEYE Name: 3-benzyl-1,2,3-benzotriazin-4-imine
IUPAC Name: 3-benzyl-1,2,3-benzotriazin-4-imine
SYSTEMATIC NAME: 3-(phenylmethyl)-1,2,3-benzotriazin-4-imine
MOLECULAR FORMULA: C14H12N4
MOLECULAR WEIGHT: 236.27188
SMILES: C1=CC=C(C=C1)CN2C(=N)C3=CC=CC=C3N=N2
Structure:

CAS RN: 180283-66-3
CAS Name: 1-cyano-1H-isoquinoline-2-carboxylic acid methyl ester
OPENEYE Name: methyl 1-cyano-1H-isoquinoline-2-carboxylate
IUPAC Name: methyl 1-cyano-1H-isoquinoline-2-carboxylate
SYSTEMATIC NAME: methyl 1-cyano-1H-isoquinoline-2-carboxylate
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: COC(=O)N1C=CC2=CC=CC=C2C1C#N
Structure:

CAS RN: 19482-57-6
CAS Name: 4-chloro-1-bicyclo[2.2.0]hexanecarboxylic acid methyl ester
OPENEYE Name: methyl 4-chlorobicyclo[2.2.0]hexane-1-carboxylate
IUPAC Name: methyl 4-chlorobicyclo[2.2.0]hexane-1-carboxylate
SYSTEMATIC NAME: methyl 4-chloranylbicyclo[2.2.0]hexane-1-carboxylate
MOLECULAR FORMULA: C8H11ClO2
MOLECULAR WEIGHT: 174.62474
SMILES: COC(=O)C12CCC1(CC2)Cl
Structure:

CAS RN: 103664-45-5
CAS Name: 1,2-dibromocyclobutane-1,2-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 1,2-dibromocyclobutane-1,2-dicarboxylate
IUPAC Name: dimethyl 1,2-dibromocyclobutane-1,2-dicarboxylate
SYSTEMATIC NAME: dimethyl 1,2-bis(bromanyl)cyclobutane-1,2-dicarboxylate
MOLECULAR FORMULA: C8H10Br2O4
MOLECULAR WEIGHT: 329.9706
SMILES: COC(=O)C1(CCC1(C(=O)OC)Br)Br
Structure:

CAS RN: 10358-76-6
CAS Name: 1,2-dibromocyclobutane-1,2-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 1,2-dibromocyclobutane-1,2-dicarboxylate
IUPAC Name: dimethyl 1,2-dibromocyclobutane-1,2-dicarboxylate
SYSTEMATIC NAME: dimethyl 1,2-bis(bromanyl)cyclobutane-1,2-dicarboxylate
MOLECULAR FORMULA: C8H10Br2O4
MOLECULAR WEIGHT: 329.9706
SMILES: COC(=O)C1(CCC1(C(=O)OC)Br)Br
Structure:

CAS RN: 4630-07-3
CAS Name: 4a,5-dimethyl-3-(1-methylethenyl)-2,3,4,5,6,7-hexahydro-1H-naphthalene
OPENEYE Name: 3-isopropenyl-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
IUPAC Name: 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
SYSTEMATIC NAME: 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC1CCC=C2C1(CC(CC2)C(=C)C)C
Structure:

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