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

Systemtic Name: 4-[4-[2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Openeye Name: 4-[4-[2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine CAS Name: 4-[4-[2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine IUPAC Name: 4-[4-[2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Traditional Name: 4-[4-[2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]morpholine Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O2/c1-30-21-12-8-19(9-13-21)25-26-23-5-3-2-4-22(23)24(27-28-25)18-6-10-20(11-7-18)29-14-16-31-17-15-29/h2-13,27H,14-17H2,1H3