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

Systemtic Name: 4-[4-[7-bromanyl-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Openeye Name: 4-[4-[7-bromo-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[7-bromo-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[7-bromo-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Traditional Name: 4-[4-[7-bromo-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C25H23BrN4O2 MolecularWeight: 491.37972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C25H23BrN4O2/c1-31-21-9-4-18(5-10-21)25-27-23-11-6-19(26)16-22(23)24(28-29-25)17-2-7-20(8-3-17)30-12-14-32-15-13-30/h2-11,16,28H,12-15H2,1H3