2-[[4-[2-[(3-bromophenyl)amino]quinazolin-6-yl]morpholin-4-ium-4-yl]methyl]prop-2-enamide

Systemtic Name: 2-[[4-[2-[(3-bromophenyl)amino]quinazolin-6-yl]morpholin-4-ium-4-yl]methyl]prop-2-enamide Openeye Name: 2-[[4-[2-(3-bromoanilino)quinazolin-6-yl]morpholin-4-ium-4-yl]methyl]prop-2-enamide CAS Name: 2-[[4-[2-(3-bromoanilino)-6-quinazolinyl]-4-morpholin-4-iumyl]methyl]-2-propenamide IUPAC Name: 2-[[4-[2-(3-bromoanilino)quinazolin-6-yl]morpholin-4-ium-4-yl]methyl]prop-2-enamide Traditional Name: 2-[[4-[2-(3-bromoanilino)quinazolin-6-yl]morpholin-4-ium-4-yl]methyl]acrylamide Formula: C22H23BrN5O2+ MolecularWeight: 469.35432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C[N+]1(CCOCC1)C2=CC3=CN=C(N=C3C=C2)NC4=CC(=CC=C4)Br)C(=O)N

Isomeric SMILES

C=C(C[N+]1(CCOCC1)C2=CC3=CN=C(N=C3C=C2)NC4=CC(=CC=C4)Br)C(=O)N

InChI

InChI=1S/C22H22BrN5O2/c1-15(21(24)29)14-28(7-9-30-10-8-28)19-5-6-20-16(11-19)13-25-22(27-20)26-18-4-2-3-17(23)12-18/h2-6,11-13H,1,7-10,14H2,(H2-,24,25,26,27,29)/p+1