(3-methylquinoxalin-2-yl)methyl 4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-oxidanylidene-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate CAS Name: 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylate Traditional Name: 4-keto-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC4=C(C=C3)N5CCCC5C(=O)N4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC4=C(C=C3)N5CCCC5C(=O)N4

InChI

InChI=1S/C22H20N4O3/c1-13-18(24-16-6-3-2-5-15(16)23-13)12-29-22(28)14-8-9-19-17(11-14)25-21(27)20-7-4-10-26(19)20/h2-3,5-6,8-9,11,20H,4,7,10,12H2,1H3,(H,25,27)