| CAS Number | 924296-18-4 |
| Catalog Number | AG00GU32 |
| Chemical Name | 9H-INDENO[1,2-B]PYRAZINE-2,3-DICARBONITRILE, 9-[(PHENYLMETHOXY)IMINO]- |
| IUPAC Name | (9E)-9-phenylmethoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile |
| InChI | InChI=1S/C20H11N5O/c21-10-16-17(11-22)24-20-18(23-16)14-8-4-5-9-15(14)19(20)25-26-12-13-6-2-1-3-7-13/h1-9H,12H2/b25-19+ |
| InChI Key | GKOWDIBLCDZJHF-NCELDCMTSA-N |
| MDL Number | MFCD11977746 |
| Molecular Formula | C20H11N5O |
| Molecular Weight | 337.3342 |
| SMILES | C(C1=CC=CC=C1)ON=C1C=2C=CC=CC2C2=NC(=C(N=C21)C#N)C#N |
| Synonyms | DUBs-IN-1,
924296-18-4,
SCHEMBL1512612,
9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-[(phenylmethoxy)imino]-,
AKOS030527005,
CS-2849,
HY-50736,
|
| Complexity | 637 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 337.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.342g/mol |
| Monoisotopic Mass | 337.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number