N-(3-bromophenyl)-9-ethoxy-8-(3-morpholin-4-ylpropoxy)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine

Systemtic Name: N-(3-bromophenyl)-9-ethoxy-8-(3-morpholin-4-ylpropoxy)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Openeye Name: N-(3-bromophenyl)-9-ethoxy-8-(3-morpholinopropoxy)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine CAS Name: N-(3-bromophenyl)-9-ethoxy-8-[3-(4-morpholinyl)propoxy]-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine IUPAC Name: N-(3-bromophenyl)-9-ethoxy-8-(3-morpholin-4-ylpropoxy)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-amine Traditional Name: (3-bromophenyl)-[9-ethoxy-8-(3-morpholinopropoxy)-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepin-4-yl]amine Formula: C26H30BrN5O4 MolecularWeight: 556.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CNC3=C(N=CN=C3OC2=C1)NC4=CC(=CC=C4)Br)OCCCN5CCOCC5

Isomeric SMILES

CCOC1=C(C=C2CNC3=C(N=CN=C3OC2=C1)NC4=CC(=CC=C4)Br)OCCCN5CCOCC5

InChI

InChI=1S/C26H30BrN5O4/c1-2-34-23-15-21-18(13-22(23)35-10-4-7-32-8-11-33-12-9-32)16-28-24-25(29-17-30-26(24)36-21)31-20-6-3-5-19(27)14-20/h3,5-6,13-15,17,28H,2,4,7-12,16H2,1H3,(H,29,30,31)