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

Systemtic Name: 4-[4-[2-(4-ethylphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Openeye Name: 4-[4-[2-(4-ethylphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[2-(4-ethylphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[2-(4-ethylphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Traditional Name: 4-[4-[2-(4-ethylphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C26H26N4O MolecularWeight: 410.51084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=N2)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=N2)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C26H26N4O/c1-2-19-7-9-21(10-8-19)26-27-24-6-4-3-5-23(24)25(28-29-26)20-11-13-22(14-12-20)30-15-17-31-18-16-30/h3-14,28H,2,15-18H2,1H3