tert-butyl (NE)-N-[2,3-bis(diethylaminomethyl)-4-oxidanyl-quinoxalin-6-ylidene]carbamate

Systemtic Name: tert-butyl (NE)-N-[2,3-bis(diethylaminomethyl)-4-oxidanyl-quinoxalin-6-ylidene]carbamate Openeye Name: tert-butyl (NE)-N-[2,3-bis(diethylaminomethyl)-4-hydroxy-quinoxalin-6-ylidene]carbamate CAS Name: (NE)-N-[2,3-bis(diethylaminomethyl)-4-hydroxy-6-quinoxalinylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-[2,3-bis(diethylaminomethyl)-4-hydroxyquinoxalin-6-ylidene]carbamate Traditional Name: (NE)-N-[2,3-bis(diethylaminomethyl)-4-hydroxy-quinoxalin-6-ylidene]carbamic acid tert-butyl ester Formula: C23H37N5O3 MolecularWeight: 431.57158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(N(C2=CC(=NC(=O)OC(C)(C)C)C=CC2=N1)O)CN(CC)CC

Isomeric SMILES

CCN(CC)CC1=C(N(C2=C/C(=N/C(=O)OC(C)(C)C)/C=CC2=N1)O)CN(CC)CC

InChI

InChI=1S/C23H37N5O3/c1-8-26(9-2)15-19-21(16-27(10-3)11-4)28(30)20-14-17(12-13-18(20)25-19)24-22(29)31-23(5,6)7/h12-14,30H,8-11,15-16H2,1-7H3/b24-17+