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

Systemtic Name: 4-[4-[2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Openeye Name: 4-[4-[2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[2-(4-ethoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Traditional Name: 4-[4-(2-p-phenetyl-4H-1,3,4-benzotriazepin-5-yl)phenyl]morpholine Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O2/c1-2-32-22-13-9-20(10-14-22)26-27-24-6-4-3-5-23(24)25(28-29-26)19-7-11-21(12-8-19)30-15-17-31-18-16-30/h3-14,28H,2,15-18H2,1H3