4-[4-[7-bromanyl-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine

Systemtic Name: 4-[4-[7-bromanyl-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Openeye Name: 4-[4-[7-bromo-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[7-bromo-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[7-bromo-2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Traditional Name: 4-[4-(7-bromo-2-p-phenetyl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Formula: C26H25BrN4O2 MolecularWeight: 505.4063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C26H25BrN4O2/c1-2-33-22-10-5-19(6-11-22)26-28-24-12-7-20(27)17-23(24)25(29-30-26)18-3-8-21(9-4-18)31-13-15-32-16-14-31/h3-12,17,29H,2,13-16H2,1H3